5-Phenyl-1,2,4-thiadiazol-3-amine - CAS 27182-54-3

Catalog:	BB019491
Product Name:	5-Phenyl-1,2,4-thiadiazol-3-amine
CAS:	27182-54-3
Synonyms:	5-phenyl-1,2,4-thiadiazol-3-amine; 5-phenyl-1,2,4-thiadiazol-3-amine

Technical Data

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Computed Properties

IUPAC Name:	5-phenyl-1,2,4-thiadiazol-3-amine
Description:	5-Phenyl-1,2,4-thiadiazol-3-amine (CAS# 27182-54-3) is a useful research chemical.
Molecular Weight:	177.23
Molecular Formula:	C8H7N3S
Canonical SMILES:	C1=CC=C(C=C1)C2=NC(=NS2)N
InChI:	InChI=1S/C8H7N3S/c9-8-10-7(12-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
InChI Key:	WOZDQVLZCXNJPY-UHFFFAOYSA-N
Boiling Point:	359 °C at 760 mmHg
Density:	1.333 g/cm³
LogP:	2.36850

Publication Number	Title	Priority Date
AU-2017309751-A1	Sulfonamides as GPR40- and GPR120-agonists	20160809
AU-2017309751-A2	Sulfonamides as GPR40- and GPR120-agonists	20160809
CA-3032466-A1	Sulfonamides as gpr40- and gpr120-agonists	20160809
EP-3281937-A1	Sulfonamides as gpr40- and gpr120-agonists	20160809
EP-3497085-A1	Sulfonamides as gpr40- and gpr120-agonists	20160809

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.03606841
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.03606841
Rotatable Bond Count:	1
Topological Polar Surface Area:	80 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1