Thiazole-5-carbothioamide

CAT: 0024-sc-264408Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-264408Size:250 mg

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CAS Number

409110-07-2

Chemical Information

Thiazole-5-carbothioamide

CAS Number	409110-07-2
PubChem CID	54594507
IUPAC Name	1,3-thiazole-5-carbothioamide
Molecular Formula	C4H4N2S2
Molecular Weight	144.2
XLogP	0.8
Topological Polar Surface Area	99.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	104

SMILES

C1=C(SC=N1)C(=S)N

InChI

InChI=1S/C4H4N2S2/c5-4(7)3-1-6-2-8-3/h1-2H,(H2,5,7)

InChIKey

VMOSVQVYQHMPDD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 409110-07-2

CID: 54594507

Formula: C4H4N2S2

MW: 144.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.2
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	143.98159048
Monoisotopic Mass	143.98159048
Topological Polar Surface Area	99.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	104
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-264407	Thiazole-4-carbothioamide
sc-264407A	Thiazole-4-carbothioamide
sc-256184	2-Methyl-1,3-thiazole-4-carbothioamide
sc-269994A	Oxazole-5-carbothioamide
sc-269994	Oxazole-5-carbothioamide
sc-350802	5-bromofuran-2-carbothioamide
sc-350808	5-bromothiophene-2-carbothioamide
sc-350802A	5-bromofuran-2-carbothioamide
sc-350808A	5-bromothiophene-2-carbothioamide
sc-357569	2,2'-Bithiophene-5-carbothioamide

Catalog	Name
OR1004405	Thiazole-5-carbothioamide
AAA53567-01	5-Amino-1,3-thiazole-2-carbothioamide
TMD06807-01	1,2-Thiazole-3-carbothioamide
BKD16287-01	4-Methoxy-5-methyl-1,3-thiazole-2-carbothioamide
ENB26396-01	6-Methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide
OR29673	2-Methyl-1,3-thiazole-4-carbothioamide
OR1101896-01	Oxazole-5-carbothioamide
OR1007242-01	Pyrimidine-5-carbothioamide
GTR19251373-01	Isoxazole-5-carbothioamide
PDC89626-01	5-Aminopyrazine-2-carbothioamide