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5-Methyl-2- (methylthio) thiazole

CAT: 0127-OR1087466-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1087466-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21364-42-1
Purity
95%
Smiles
S (C) c1sc (C) cn1

Chemical Information

5-Methyl-2-(methylthio)thiazole
CAS Number21364-42-1
PubChem CID13378789
IUPAC Name5-methyl-2-methylsulfanyl-1,3-thiazole
Molecular FormulaC5H7NS2
Molecular Weight145.3
XLogP2.2
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity76
SMILES
CC1=CN=C(S1)SC
InChI
InChI=1S/C5H7NS2/c1-4-3-6-5(7-2)8-4/h3H,1-2H3
InChIKey
WNQORAUJIPRIRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-2-(methylthio)thiazole
CAS: 21364-42-1
CID: 13378789
Formula: C5H7NS2
MW: 145.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight145.3
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass145.00199157
Monoisotopic Mass145.00199157
Topological Polar Surface Area66.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity76.8
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