AG00IC08

70057-67-9 | 1,3,4-Thiadiazol-2-amine, 5-(3-chlorophenyl)-

AG00IC08

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CAS Number	70057-67-9
Catalog Number	AG00IC08(AGN-PC-0KKUM8)
Chemical Name	1,3,4-Thiadiazol-2-amine, 5-(3-chlorophenyl)-
IUPAC Name	5-(3-chlorophenyl)-1,3,4-thiadiazol-2-amine
InChI	InChI=1S/C8H6ClN3S/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChI Key	JVPYRGXPTAPRJU-UHFFFAOYSA-N
MDL Number	MFCD02664059
Molecular Formula	C8H6ClN3S
Molecular Weight	211.6713
SMILES	NC1=NN=C(C2=CC=CC(Cl)=C2)S1
Synonyms	5-(3-chlorophenyl)-1,3,4-thiadiazol-2-amine, 70057-67-9, 1,3,4-Thiadiazol-2-amine, 5-(3-chlorophenyl)-, AC1MCL8F, SCHEMBL603197, CHEMBL2426227, JVPYRGXPTAPRJU-UHFFFAOYSA-N, AC1Q5360, KS-00000T9J, ZINC2582672, BBL009050, MFCD02664059, STK115728, AKOS000225524, MCULE-8010694479, AK186706, DA-04100, DS-10086, 3-chlorophenyl-1,3,4-thiadiazol-2-amine, BB 0238718, FT-0754455, H4161, Y2773, EN300-56389, 2-amino-5-(m-chlorophenyl)-1,3,4-thiadiazole, 5-(3-Chloro-phenyl)-[1,3,4]thiadiazol-2-ylami ne, Z992717352, C8H6ClN3S, ZINC02582672, CID2772306,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.997g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.667g/mol
Monoisotopic Mass	210.997g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	80A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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