AG003B8R

872-35-5 | 1H-Imidazole-2(3H)-thione

AG003B8R

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CAS Number	872-35-5
Catalog Number	AG003B8R(AGN-PC-0WA6UR)
Chemical Name	1H-Imidazole-2(3H)-thione
EC Number	212-823-4
IUPAC Name	1,3-dihydroimidazole-2-thione
InChI	InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
InChI Key	OXFSTTJBVAAALW-UHFFFAOYSA-N
MDL Number	MFCD00005188
Molecular Formula	C3H4N2S
Molecular Weight	100.1423
NSC Number	112715
SMILES	S=C1NC=CN1
UNII	FD37BLD6L2
Synonyms	2-mercaptoimidazole, 2H-imidazole-2-thione, 4-imidazoline-2-thione, imidazole-2-thiol, 2-Mercaptoimidazole, 1H-Imidazole-2-thiol, 872-35-5, 1H-Imidazole-2(3H)-thione, IMIDAZOLE-2-THIOL, 1,3-Vinylenethiourea, 4-Imidazoline-2-thione, Imidazole, 2-mercapto-, 2H-Imidazole-2-thione, 1,3-dihydro-, USAF EL-57, Mercaptoimidazole, 2-Imidazolethiol, 2-Thioxo-2,3-dihydroimidazole, 1,3-dihydroimidazole-2-thione, 2-Mercapto-1H-imidazole, NSC 112715, EINECS 212-823-4, MFCD00005188, UNII-FD37BLD6L2, 2-Mercaptoimidazole, 98%, FD37BLD6L2, AI3-61065, OXFSTTJBVAAALW-UHFFFAOYSA-N, 1,3-Dihydro-2H-imidazole-2-thione, 2,3-dihydro-1H-imidazole-2-thione, 82358-15-4, 49556-19-6, 1H-Imidazolethiol, 2-mercapto-imidazole, NSC112715, 1H-imidazol-2-thiol, AC1Q7GBA, 2-Sulphanyl-1H-imidazole, SCHEMBL116, WLN: T5M CNJ BSH, CHEMBL3260774, DTXSID6061236, 1,3-dihydro-imidazole-2-thione, CTK1D6410, CTK3E0449, 2,3-dihydro-1h-imidazol-2-thione, 2H-Imidazole-2-thione,3-dihydro-, KS-00000N3Y, ZINC4529297, KM2493, SBB004368, STL476661, AKOS006227877, AKOS015856745, AB00386, MCULE-1550904171, NSC-112715, PS-9324, RP00419, RTR-027305, AJ-51533, AK134899, AN-24927, LS-78910, QC-10839, SC-20600, TR-027305, FT-0612765, ST24038271, Y4416, EN300-87124, 65197-EP2298776A1, 65197-EP2308812A2, AP-836/41220351, J-504670, I14-49033, F8889-0227, Z1266933940, InChI=1/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6, C3H4N2S, C3-H4-N2-S, 2-Mercaptoimidazole, 98% - 1G 1g, CID1201386, 1H-imidazole-2-thiol, 95% - 1G 1g,

Complexity	87
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	100.01g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	100.139g/mol
Monoisotopic Mass	100.01g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	56.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338-P280a-P304+P340-P405-P501a
UN Code

Certificate of Analysis

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