5-amino-1,2,4-thiadiazole - CAS 7552-07-0

Name: 5-amino-1,2,4-thiadiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035345
Product Name:	5-amino-1,2,4-thiadiazole
CAS:	7552-07-0
Synonyms:	1,2,4-thiadiazol-5-amine; 1,2,4-thiadiazol-5-amine

Technical Data

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Computed Properties

IUPAC Name:	1,2,4-thiadiazol-5-amine
Description:	5-amino-1,2,4-thiadiazole (CAS# 7552-07-0) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	101.13
Molecular Formula:	C2H3N3S
Canonical SMILES:	C1=NSC(=N1)N
InChI:	InChI=1S/C2H3N3S/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)
InChI Key:	VJHTZTZXOKVQRN-UHFFFAOYSA-N
Boiling Point:	238.9 °C at 760 mmHg
Purity:	98 %
Density:	1.495 g/cm³
Appearance:	Solid
MDL:	MFCD01102171
LogP:	0.70150

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170931-46-0]C11H13N5O5
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[261626-93-1]C9H8N2O3S
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[956263-73-3]C9H9N5O5
Ethyl 3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
[37760-54-6]C11H10N2O3
Ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate
[1570493-58-1]C12H8F3N5O2
5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
[924871-64-7]C11H12N4O2
N-(2-Aminoethyl)-3-phenyl-1,2,4-oxadiazole-5-carboxamide

GHS Hazard Statement:	H302+H332 (95%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112759559-A	Sulfonamide compounds as sodium channel blockers and uses thereof	20191106
WO-2021066149-A1	Pharmaceutical composition and kit characterized by containing novel penam derivative or salt thereof and one or more compounds selected from Î²-lactamase inhibitor compound, antibacterial compound and salts of these	20191004
CN-110483493-A	A kind of diazole analog derivative and its preparation method and application	20190919
WO-2020247804-A1	Heterocycle substituted pyridine derivative antifungal agents	20190607
US-2020385685-A1	Robust differentiation of human pluripotent stem cells into endothelial cells using transcription factor etv2	20190528

PMID	Publication Date	Title	Journal
22774807	20120901	The new iminothiadiazole derivative VP1.14 ameliorates hippocampal damage after an excitotoxic injury	Journal of neurochemistry
21297958	20110131	PDE 7 inhibitors: new potential drugs for the therapy of spinal cord injury	PloS one

Complexity:	48.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	101.00476828
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	101.00476828
Rotatable Bond Count:	0
Topological Polar Surface Area:	80 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4