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117606-74-3 | 2-Thiazolidinethione, 4-(1-methylethyl)-3-(1-oxobutyl)-, (4S)-
CAS No: 117606-74-3 Catalog No: AG0077LC MDL No:
Product Description
Catalog Number:
AG0077LC
Chemical Name:
2-Thiazolidinethione, 4-(1-methylethyl)-3-(1-oxobutyl)-, (4S)-
CAS Number:
117606-74-3
Molecular Formula:
C10H17NOS2
Molecular Weight:
231.3781
IUPAC Name:
1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]butan-1-one
InChI:
InChI=1S/C10H17NOS2/c1-4-5-9(12)11-8(7(2)3)6-14-10(11)13/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChI Key:
DHIAIYZBQPQVCD-MRVPVSSYSA-N
SMILES:
CCCC(=O)N1C(=S)SC[C@@H]1C(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
231.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.372g/mol
Monoisotopic Mass:
231.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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