AG007MDA

25660-71-3 | 1,3,4-Thiadiazol-2-amine,5-[(phenylmethyl)thio]-

AG007MDA

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CAS Number	25660-71-3
Catalog Number	AG007MDA(AGN-PC-0JM3J8)
Chemical Name	1,3,4-Thiadiazol-2-amine,5-[(phenylmethyl)thio]-
IUPAC Name	5-benzylsulfanyl-1,3,4-thiadiazol-2-amine
InChI	InChI=1S/C9H9N3S2/c10-8-11-12-9(14-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11)
InChI Key	BHIGBGKIAJJBGD-UHFFFAOYSA-N
MDL Number	MFCD00184237
Molecular Formula	C9H9N3S2
Molecular Weight	223.3179
NSC Number	204491
SMILES	NC1=NN=C(SCC2=CC=CC=C2)S1
Synonyms	25660-71-3, 2-benzylthio-5-amino-1,3,4-thiadiazole, 5-(Benzylthio)-1,3,4-thiadiazol-2-amine, 2-Amino-5-benzylmercapto-1,3,4-thiadiazole, 2-amino-5-benzylthio-1,3,4-thiadiazole, 5-Benzylsulfanyl-[1,3,4]thiadiazol-2-ylamine, 5-benzylsulfanyl-1,3,4-thiadiazol-2-amine, 5-(benzylsulfanyl)-1,3,4-thiadiazol-2-amine, 2-amino-5-(benzylthio)-1,3,4-thiadiazole, 5-benzylsulfanyl[1,3,4]thiadiazol-2-ylamine, 1,3,4-Thiadiazol-2-amine,5-[(phenylmethyl)thio]-, 1,3,4-Thiadiazol-2-amine, 5-((phenylmethyl)thio)-, 5-Amino-2-benzylthio-1,3,4-thiadiazole, 5-((Phenylmethyl)thio)-1,3,4-thiadiazol-2-amine, 5-(phenylmethylthio)-1,3,4-thiadiazole-2-ylamine, 1,3,4-Thiadiazol-2-amine, 5-[(phenylmethyl)thio]-, NSC204491, ACMC-209glj, AC1L40SC, Oprea1_100340, Oprea1_704053, CBDivE_001722, AC1Q536P, AC1Q536Q, AC1Q7E33, CHEMBL369173, SCHEMBL3906094, CTK4F6234, KS-00001PEX, DTXSID90180365, BHIGBGKIAJJBGD-UHFFFAOYSA-N, HMS1682N03, ALBB-012598, ANW-25781, BBL007642, MFCD00184237, SBB018185, STK384985, ZINC17024013, AKOS000112174, AC-5579, MCULE-9485987352, NSC-204491, VZ23836, AJ-69897, AN-10827, BAS 00851017, CJ-15720, SC-55389, AB0062486, DB-046749, LS-150232, TR-011678, 5-(Benzylthio)-1,3,4-thiadiazole-2-amine, 5-amino-2-benzylmercapto-1,3,4-thiadiazole, FT-0638544, ST45202978, V4711, 5-benzylsulfanyl-1,3,4-thiadiazol-2-ylamine, EN300-02885, K-6701, 5-(phenylmethylthio)-1,3,4-thiadiazol-2-amine, A817954, 5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-amine, I01-1315, 2-Amino-5-benzylthio-1,3,4-thiadiazole, AldrichCPR, BRD-K58672433-001-01-7, C9H9N3S2, C9-H9-N3-S2, CID99285, AR-1D8419, A2677, 263842-63-3, 299936-22-4,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.024g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	223.312g/mol
Monoisotopic Mass	223.024g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
UN Code

Certificate of Analysis

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