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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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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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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 Number916975-97-8
PubChem CID58027227
IUPAC Name5-iodo-2-methylsulfanyl-1,3-thiazole
Molecular FormulaC4H4INS2
Molecular Weight257.1
XLogP2.5
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity80
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
2D structure of 5-Iodo-2-(methylthio)thiazole
CAS: 916975-97-8
CID: 58027227
Formula: C4H4INS2
MW: 257.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.1
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass256.88299
Monoisotopic Mass256.88299
Topological Polar Surface Area66.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity80.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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