AG00BWUY

31130-17-3 | 5-METHYL-[1,3,4]OXADIAZOLE-2-THIOL

AG00BWUY

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CAS Number	31130-17-3
Catalog Number	AG00BWUY(AGN-PC-0KAYJ8)
Chemical Name	5-METHYL-[1,3,4]OXADIAZOLE-2-THIOL
IUPAC Name	5-methyl-3H-1,3,4-oxadiazole-2-thione
InChI	InChI=1S/C3H4N2OS/c1-2-4-5-3(7)6-2/h1H3,(H,5,7)
InChI Key	ZVGKPQCCKGLQPB-UHFFFAOYSA-N
MDL Number	MFCD03161246
Molecular Formula	C3H4N2OS
Molecular Weight	116.1417
SMILES	S=C1OC(C)=NN1
Synonyms	5-methyl-1,3,4-oxadiazole-2-thiol, 31130-17-3, 5-Methyl-[1,3,4]oxadiazole-2-thiol, 5-methyl-3H-1,3,4-oxadiazole-2-thione, AC1Q2PYJ, AC1M06KE, CHEMBL501631, SCHEMBL2034591, CTK4G6436, CTK6C3896, DTXSID10365839, ZVGKPQCCKGLQPB-UHFFFAOYSA-N, ALBB-013475, ZINC5825346, 9842AD, MFCD03161246, SBB062586, TOD100480, AKOS000122460, AKOS027461275, MCULE-1357179698, 5-methyl-1,3,4-oxadiazoline-2-thione, 1,3,4-oxadiazole-2-thiol, 5-methyl-, 2-mercapto-5-methyl -1,3,4-oxadiazole, BS-12684, CS-0061408, FT-0683731, 1,3,4-Oxadiazole-2(3H)-thione,5-methyl-, EN300-05778, K-7389, 5-methyl-2,3-dihydro-1,3,4-oxadiazole-2-thione, 5-METHYL-1,3,4-OXADIAZOLE-2(3H)-THIONE, I09-2599, Z55879328, F2145-0814, C3H4N2OS, ZINC05825346, CID1991452,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.004g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	116.138g/mol
Monoisotopic Mass	116.004g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	65.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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