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158554-90-6 | 2-Thiazolidinethione, 4-(1-methylethyl)-3-(phenylmethyl)-, (4S)-
CAS No: 158554-90-6 Catalog No: AG001QA8 MDL No:
Product Description
Catalog Number:
AG001QA8
Chemical Name:
2-Thiazolidinethione, 4-(1-methylethyl)-3-(phenylmethyl)-, (4S)-
CAS Number:
158554-90-6
Molecular Formula:
C13H17NS2
Molecular Weight:
251.4108
IUPAC Name:
(4S)-3-benzyl-4-propan-2-yl-1,3-thiazolidine-2-thione
InChI:
InChI=1S/C13H17NS2/c1-10(2)12-9-16-13(15)14(12)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1
InChI Key:
LABWDBYSVPORGG-GFCCVEGCSA-N
SMILES:
CC([C@H]1CSC(=S)N1Cc1ccccc1)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
251.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.406g/mol
Monoisotopic Mass:
251.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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