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40086-02-0 | 3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CAS No: 40086-02-0 Catalog No: AG00VT4H MDL No:
Product Description
Catalog Number:
AG00VT4H
Chemical Name:
3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CAS Number:
40086-02-0
Molecular Formula:
C7H11NOS2
Molecular Weight:
189.2983
IUPAC Name:
3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C7H11NOS2/c1-5(2)3-8-6(9)4-11-7(8)10/h5H,3-4H2,1-2H3
InChI Key:
MNYRSVWIWIEBES-UHFFFAOYSA-N
SMILES:
CC(CN1C(=S)SCC1=O)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.028g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.291g/mol
Monoisotopic Mass:
189.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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