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Home > Thiazole > 1092291-19-4
1092291-19-4 | 3-(3,4-dimethylbenzoyl)-1,3-thiazolidine-2-thione
CAS No: 1092291-19-4 Catalog No: AG01B5TB MDL No:MFCD11108878
Product Description
Catalog Number:
AG01B5TB
Chemical Name:
3-(3,4-dimethylbenzoyl)-1,3-thiazolidine-2-thione
CAS Number:
1092291-19-4
Molecular Formula:
C12H13NOS2
Molecular Weight:
251.3677
MDL Number:
MFCD11108878
IUPAC Name:
(3,4-dimethylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
InChI:
InChI=1S/C12H13NOS2/c1-8-3-4-10(7-9(8)2)11(14)13-5-6-16-12(13)15/h3-4,7H,5-6H2,1-2H3
InChI Key:
ZFHZSPFOAMEDQC-UHFFFAOYSA-N
SMILES:
S=C1SCCN1C(=O)c1ccc(c(c1)C)C
Properties
Complexity:
305
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.362g/mol
Monoisotopic Mass:
251.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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