2-Amino-5-(4-chlorophenyl)-1,3,4-thiadiazole - CAS 28004-62-8

Catalog:	BB019734
Product Name:	2-Amino-5-(4-chlorophenyl)-1,3,4-thiadiazole
CAS:	28004-62-8
Synonyms:	5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine
Description:	2-Amino-5-(4-chlorophenyl)-1,3,4-thiadiazole (CAS# 28004-62-8) is a useful research chemical.
Molecular Weight:	211.67
Molecular Formula:	C8H6ClN3S
Canonical SMILES:	C1=CC(=CC=C1C2=NN=C(S2)N)Cl
InChI:	InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChI Key:	OAVULPOOAHQYDZ-UHFFFAOYSA-N
Boiling Point:	383.9 °C at 760 mmHg
Density:	1.461 g/cm³
MDL:	MFCD00980966
LogP:	2.55340

Publication Number	Title	Priority Date
CN-110759955-A	Preparation method of Mannich base containing ferrocenyl thiadiazole or oxadiazolyl	20191119
CN-110878106-A	Preparation method of Mannich base containing ferrocenyl thiadiazole or oxadiazolyl	20191119
CN-112279845-A	Aryl or heteroaryl substituted thiadiazole compounds and antibacterial application thereof	20190724
WO-2020043866-A1	Compounds	20180831
EP-3843844-A1	Compounds	20180831

PMID	Publication Date	Title	Journal
24161679	20131101	2-Heteroarylimino-5-arylidene-4-thiazolidinones as a new class of non-nucleoside inhibitors of HCV NS5B polymerase	European journal of medicinal chemistry

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Related Functional Groups

Amines and Anilines

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[17583-40-3]
2-(Methylamino)benzonitrile
[42150-24-3]
2-(4-Pyrazolyl)ethylamine

Oxadiazole/Thiadiazole

[1170802-11-5]
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[1172750-87-6]
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[73185-75-8]
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[91393-16-7]
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.9970961
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.9970961
Rotatable Bond Count:	1
Topological Polar Surface Area:	80 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3