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138459-91-3 | 1-Propanone, 2,2-dimethyl-1-(2-thioxo-3-thiazolidinyl)-
CAS No: 138459-91-3 Catalog No: AG00196Z MDL No:MFCD17392907
Product Description
Catalog Number:
AG00196Z
Chemical Name:
1-Propanone, 2,2-dimethyl-1-(2-thioxo-3-thiazolidinyl)-
CAS Number:
138459-91-3
Molecular Formula:
C8H13NOS2
Molecular Weight:
203.3249
MDL Number:
MFCD17392907
IUPAC Name:
2,2-dimethyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one
InChI:
InChI=1S/C8H13NOS2/c1-8(2,3)6(10)9-4-5-12-7(9)11/h4-5H2,1-3H3
InChI Key:
QPFBZLPXTOTDIF-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)N1CCSC1=S
Properties
Complexity:
220
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:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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