5-iodo-2- (methylthio) thiazole

CAT: 0127-OR1094955-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1094955-01Size:250 mg

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CAS Number

916975-97-8

Purity

95%

Smiles

S (C) c1ncc (s1) I

Chemical Information

5-Iodo-2-(methylthio)thiazole

CAS Number	916975-97-8
PubChem CID	58027227
IUPAC Name	5-iodo-2-methylsulfanyl-1,3-thiazole
Molecular Formula	C4H4INS2
Molecular Weight	257.1
XLogP	2.5
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	80

SMILES

CSC1=NC=C(S1)I

InChI

InChI=1S/C4H4INS2/c1-7-4-6-2-3(5)8-4/h2H,1H3

InChIKey

QCTCRWWGUJGXFZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 916975-97-8

CID: 58027227

Formula: C4H4INS2

MW: 257.1

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.1
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	256.88299
Monoisotopic Mass	256.88299
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	80.4
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
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Catalog	Name
283571-01	2- (Methylthio) thiazole
abx180980-01	2-(Methylthio)thiazole
sc-284122	4-Amino-2-methylthio-5- (phenylsulfonyl) thiazole
PBA73628	4-Amino-2- (methylthio) thiazole-5-carbonitrile
TN9208-01	2- (Methylthio) benzo[d]thiazole
WSA28606-01	2- (Methylthio) -4- (tributylstannyl) thiazole
sc-263255A	Ethyl 4-amino-2- (methylthio) thiazole-5-carboxylate
KCA09305-01	Methyl 4-amino-2- (methylthio) thiazole-5-carboxylate
sc-344947	Methyl 4-chloro-2- (methylthio) thiazole-5-carboxylate
275898-01	Ethyl 4-amino-2- (methylthio) -1,3-thiazole-5-carboxylate