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85127-60-2 | 2-Thiazolidinethione, 4-(hydroxymethyl)-3-(phenylmethyl)-
CAS No: 85127-60-2 Catalog No: AG004XBU MDL No:
Product Description
Catalog Number:
AG004XBU
Chemical Name:
2-Thiazolidinethione, 4-(hydroxymethyl)-3-(phenylmethyl)-
CAS Number:
85127-60-2
Molecular Formula:
C11H13NOS2
Molecular Weight:
239.3570
IUPAC Name:
3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione
InChI:
InChI=1S/C11H13NOS2/c13-7-10-8-15-11(14)12(10)6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChI Key:
FGEWQTYHMHPKOG-UHFFFAOYSA-N
SMILES:
OCC1CSC(=S)N1Cc1ccccc1
NSC Number:
370927
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.351g/mol
Monoisotopic Mass:
239.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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