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790661-41-5 | 2-Thiazolidinethione, 3-acetyl-4-(phenylmethyl)-, (4S)-
CAS No: 790661-41-5 Catalog No: AG0053VS MDL No:
Product Description
Catalog Number:
AG0053VS
Chemical Name:
2-Thiazolidinethione, 3-acetyl-4-(phenylmethyl)-, (4S)-
CAS Number:
790661-41-5
Molecular Formula:
C12H13NOS2
Molecular Weight:
251.3677
IUPAC Name:
1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone
InChI:
InChI=1S/C12H13NOS2/c1-9(14)13-11(8-16-12(13)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChI Key:
SHIOICUNOVAZNH-NSHDSACASA-N
SMILES:
CC(=O)N1[C@H](CSC1=S)Cc1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
251.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.362g/mol
Monoisotopic Mass:
251.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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