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23853-33-0 | S-(Hydroxymethyl); benzothioate
CAS No: 23853-33-0 Catalog No: AG003U8U MDL No:
Product Description
Catalog Number:
AG003U8U
Chemical Name:
S-(Hydroxymethyl); benzothioate
CAS Number:
23853-33-0
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
IUPAC Name:
S-(hydroxymethyl) benzenecarbothioate
InChI:
InChI=1S/C8H8O2S/c9-6-11-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2
InChI Key:
MNTZJQAAOYSCMM-UHFFFAOYSA-N
SMILES:
OCSC(=O)c1ccccc1
NSC Number:
146570
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.21g/mol
Monoisotopic Mass:
168.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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