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13816-04-1 | Thiazole, 2-(1-methylethenyl)-
CAS No: 13816-04-1 Catalog No: AG00183P MDL No:MFCD00671547
Product Description
Catalog Number:
AG00183P
Chemical Name:
Thiazole, 2-(1-methylethenyl)-
CAS Number:
13816-04-1
Molecular Formula:
C6H7NS
Molecular Weight:
125.1915
MDL Number:
MFCD00671547
IUPAC Name:
2-prop-1-en-2-yl-1,3-thiazole
InChI:
InChI=1S/C6H7NS/c1-5(2)6-7-3-4-8-6/h3-4H,1H2,2H3
InChI Key:
UDPXHYZDXKTGLD-UHFFFAOYSA-N
SMILES:
CC(=C)c1nccs1
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.03g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.189g/mol
Monoisotopic Mass:
125.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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