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113270-52-3 | 5(2H)-Thiazolone, 2,2-dimethyl-4-[(phenylmethyl)thio]-
CAS No: 113270-52-3 Catalog No: AG00823E MDL No:
Product Description
Catalog Number:
AG00823E
Chemical Name:
5(2H)-Thiazolone, 2,2-dimethyl-4-[(phenylmethyl)thio]-
CAS Number:
113270-52-3
Molecular Formula:
C12H13NOS2
Molecular Weight:
251.3677
IUPAC Name:
4-benzylsulfanyl-2,2-dimethyl-1,3-thiazol-5-one
InChI:
InChI=1S/C12H13NOS2/c1-12(2)13-10(11(14)16-12)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI Key:
TUWVPTJZJQRBCN-UHFFFAOYSA-N
SMILES:
O=C1SC(N=C1SCc1ccccc1)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.362g/mol
Monoisotopic Mass:
251.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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