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83167-33-3 | Acetic acid, [(phenylmethyl)dithio]-
CAS No: 83167-33-3 Catalog No: AG0050E4 MDL No:
Product Description
Catalog Number:
AG0050E4
Chemical Name:
Acetic acid, [(phenylmethyl)dithio]-
CAS Number:
83167-33-3
Molecular Formula:
C9H10O2S2
Molecular Weight:
214.3045
IUPAC Name:
2-(benzyldisulfanyl)acetic acid
InChI:
InChI=1S/C9H10O2S2/c10-9(11)7-13-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChI Key:
ZIEXAINKSOYINJ-UHFFFAOYSA-N
SMILES:
OC(=O)CSSCc1ccccc1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.297g/mol
Monoisotopic Mass:
214.012g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| 2-(Phenyl-carbonothio-ylsulfan-yl)acetic acid. | Acta crystallographica. Section E, Structure reports online 20101001 |
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