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74058-81-4 | 2-Thiazolidinethione, 3-(3-methyl-1-oxobutyl)-
CAS No: 74058-81-4 Catalog No: AG005U5C MDL No:
Product Description
Catalog Number:
AG005U5C
Chemical Name:
2-Thiazolidinethione, 3-(3-methyl-1-oxobutyl)-
CAS Number:
74058-81-4
Molecular Formula:
C8H13NOS2
Molecular Weight:
203.3249
IUPAC Name:
3-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)butan-1-one
InChI:
InChI=1S/C8H13NOS2/c1-6(2)5-7(10)9-3-4-12-8(9)11/h6H,3-5H2,1-2H3
InChI Key:
TUJIQCHFMJHQJV-UHFFFAOYSA-N
SMILES:
CC(CC(=O)N1CCSC1=S)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.318g/mol
Monoisotopic Mass:
203.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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