Home Other Building Blocks (Benzylthio)acetic acid

(Benzylthio)acetic acid

CAS No.:
103-46-8
Catalog Number:
AG003BZL
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$108
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Product Description
Catalog Number:
AG003BZL
Chemical Name:
(Benzylthio)acetic acid
CAS Number:
103-46-8
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD00004358
IUPAC Name:
2-benzylsulfanylacetic acid
InChI:
InChI=1S/C9H10O2S/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChI Key:
AWLVTQRRKPBQEQ-UHFFFAOYSA-N
SMILES:
OC(=O)CSCc1ccccc1
EC Number:
203-114-0
NSC Number:
26553
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties