Thiosemicarbazide - CAS 79-19-6

Name: Thiosemicarbazide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB036313
Product Name:	Thiosemicarbazide
CAS:	79-19-6
Synonyms:	Thiosemicarbazide;79-19-6;Hydrazinecarbothioamide;aminothiourea;N-Aminothiourea;1-Aminothiourea;Thiocarbamylhydrazine;Isothiosemicarbazide;2-Thiosemicarbazide;3-Thiosemicarbazide;Thiocarbamoylhydrazine;Semicarbazide, thio-;Aminothio-urea;Thiocarbamoyl hydrazide;1-AMINO-2-THIOUREA;Semicarbazide, 3-thio-;USAF EK-1275;RCRA waste number P116;NSC 2213;MFCD00007620;THIOSEMICARBAZINE;TSZ;CHEMBL256250;DTXSID9021346;6056O8W6ET;NSC-2213;WLN: ZMYZUS;NSC 2213; NSC 31792;DTXCID301346;Isothiosemicarbazide (VAN);CAS-79-19-6;CCRIS 1416;HSDB 6050;EINECS 201-184-7;RCRA waste no. P116;aminohydrazinomethane-1-thione;aminoisothiourea;UNII-6056O8W6ET;AI3-16319;1-azanylthiourea;thio-semicarbazide;H2NNHCSNH2;Thiosemicarbazide, 98%;Thiosemicarbazide, 99%;(aminothioxomethyl)hydrazine;(aminothioxomethyl)-hydrazine;THIOSEMICARBAZIDE [MI];Thiosemicarbazide, p.a., 98%;CHEBI:49929;NSC2213;HY-Y0032;NSC31792;STR00427;1-AMINO-2-THIOUREA [HSDB];Tox21_201348;Tox21_302983;BDBM50236982;NSC-31792;STL194285;AKOS000269047;Thiosemicarbazide, puriss. p.a., 98%;NCGC00091884-01;NCGC00091884-02;NCGC00256506-01;NCGC00258900-01;SY001634;DB-030119;Thiosemicarbazide, purum, >=98.0% (RT);AM20100785;CS-0008325;NS00004203;T0221;EN300-33914;A839613;W-104264;Q16295007;F1908-0101;

Technical Data

Related CAS:	1393653-11-6 (Deleted CAS)
IUPAC Name:	aminothiourea
Molecular Weight:	313.31
Molecular Formula:	C16H15N3O4
Canonical SMILES:	C1=CC(=CC=C1CC(=O)O)OC(=O)C2=CC=C(C=C2)N=C(N)N
InChI:	InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)
InChI Key:	BRWIZMBXBAOCCF-UHFFFAOYSA-N
Boiling Point:	208.6±23.0°C at 760 mmHg
Melting Point:	183°C
Density:	1.376±0.06 g/cm3
Appearance:	Solid
Decomposition:	When heated to decomposition it emits very toxic fumes of nox and sox
MDL:	MFCD00007620
LogP:	0.48480
Stability:	Stable under recommended storage conditions
Vapor Pressure:	0.33 [mmHg]

GHS Hazard Statement:	H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2016168156-A1	Fused ring heteroaryl compounds and their use as trk inhibitors	20141215
US-2016002204-A1	Gls1 inhibitors for treating disease	20140703
US-2016002248-A1	Gls1 inhibitors for treating disease	20140703
US-2016009704-A1	Gls1 inhibitors for treating disease	20140703
US-2015366204-A1	Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto	20140624

PMID	Publication Date	Title	Journal
29968121	20181101	Synthesis of new chiral 1,3,4-thiadiazole-based di- and tri-arylsulfonamide residues and evaluation of in vitro anti-HIV activity and cytotoxicity	Molecular diversity
29131470	20180101	Synthesis of some novel pyridine compounds containing bis-1,2,4-triazole/thiosemicarbazide moiety and investigation of their antioxidant properties, carbonic anhydrase, and acetylcholinesterase enzymes inhibition profiles	Journal of biochemical and molecular toxicology
24513049	20140301	Synthesis and anti-Candidal activity of N-(4-aryl/cyclohexyl)-2-(pyridine-4-yl carbonyl) hydrazinecarbothioamide	Bioorganic & medicinal chemistry letters
24129274	20131014	Structural studies and investigation on the activity of imidazole-derived thiosemicarbazones and hydrazones against crop-related fungi	Molecules (Basel, Switzerland)
22980884	20121215	Biological evaluation of coumarin derivatives as mushroom tyrosinase inhibitors	Food chemistry

Complexity:	42.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	91.02041835
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	91.02041835
Rotatable Bond Count:	0
Topological Polar Surface Area:	96.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.2