AG00G47B

80653-66-3 | Thiazole-4-carbothioic acid amide

AG00G47B

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CAS Number	80653-66-3
Catalog Number	AG00G47B(AGN-PC-0WB2H1)
Chemical Name	Thiazole-4-carbothioic acid amide
IUPAC Name	1,3-thiazole-4-carbothioamide
InChI	InChI=1S/C4H4N2S2/c5-4(7)3-1-8-2-6-3/h1-2H,(H2,5,7)
InChI Key	SOQQSPURSLWWMI-UHFFFAOYSA-N
MDL Number	MFCD04115283
Molecular Formula	C4H4N2S2
Molecular Weight	144.2180
SMILES	S=C(C1=CSC=N1)N
Synonyms	Thiazole-4-carbothioamide, 80653-66-3, Thiazole-4-Carbothioic Acid Amide, 4-Thiazolecarbothioamide, 1,3-Thiazole-4-carbothioamide, 1,3-Thiazole-4-thiocarboxamide, MFCD04115283, 4-Carbamothioyl-1,3-thiazole, SCHEMBL13174724, CTK1D5285, DTXSID60515721, AC1Q5000, ZINC2527456, CT-094, AKOS006344966, 1,3-Thiazole-4-carbothioic acid amide, AB19864, PS-3880, RP01424, KS-00002A23, AJ-38045, 1,3-Thiazole-4-carbothioamide AldrichCPR, 1,3-Thiazole-4-carbothioamide, AldrichCPR, AB0038205, DB-075695, TC-069703, FT-0083388, FT-0651403, Y5562, A19588, J-524910, J-524914, I14-12901, Thiazole-5-carbothioamide, C4H4N2S2, 4-Thiazolecarbothioamide (9CI), THIAZOLE-5-CARBOTHIOICACIDAMIDE, ACN-039207, THIAZOLE-5-CARBOTHIOIC ACID AMIDE, thiazole-4-carbothioamide, 95% - 1G 1g, C-1566, 409110-07-2,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	143.982g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	144.21g/mol
Monoisotopic Mass	143.982g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	99.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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