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127812-04-8 | Propanethioic acid, 2,3-dihydroxy-, S-(phenylmethyl) ester, (R)- (9CI)
CAS No: 127812-04-8 Catalog No: AG000XFQ MDL No:
Product Description
Catalog Number:
AG000XFQ
Chemical Name:
Propanethioic acid, 2,3-dihydroxy-, S-(phenylmethyl) ester, (R)- (9CI)
CAS Number:
127812-04-8
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
IUPAC Name:
S-benzyl (2R)-2,3-dihydroxypropanethioate
InChI:
InChI=1S/C10H12O3S/c11-6-9(12)10(13)14-7-8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2/t9-/m1/s1
InChI Key:
KAIPTHGKBJJKDN-SECBINFHSA-N
SMILES:
OC[C@H](C(=O)SCc1ccccc1)O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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