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1092291-11-6 | 3-(2-methylbenzoyl)-1,3-thiazolidine-2-thione
CAS No: 1092291-11-6 Catalog No: AG01B5UU MDL No:MFCD11108876
Product Description
Catalog Number:
AG01B5UU
Chemical Name:
3-(2-methylbenzoyl)-1,3-thiazolidine-2-thione
CAS Number:
1092291-11-6
Molecular Formula:
C11H11NOS2
Molecular Weight:
237.3411
MDL Number:
MFCD11108876
IUPAC Name:
(2-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
InChI:
InChI=1S/C11H11NOS2/c1-8-4-2-3-5-9(8)10(13)12-6-7-15-11(12)14/h2-5H,6-7H2,1H3
InChI Key:
ZCMNWABWTJNGQB-UHFFFAOYSA-N
SMILES:
S=C1SCCN1C(=O)c1ccccc1C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.335g/mol
Monoisotopic Mass:
237.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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