Home Other Building Blocks 4-[(ethylsulfanyl)methyl]benzoic acid

4-[(ethylsulfanyl)methyl]benzoic acid

CAS No.:
79313-52-3
Catalog Number:
AG019WAM
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
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Product Description
Catalog Number:
AG019WAM
Chemical Name:
4-[(ethylsulfanyl)methyl]benzoic acid
CAS Number:
79313-52-3
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD11136003
IUPAC Name:
4-(ethylsulfanylmethyl)benzoic acid
InChI:
InChI=1S/C10H12O2S/c1-2-13-7-8-3-5-9(6-4-8)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key:
BPZWKXQRFALHHD-UHFFFAOYSA-N
SMILES:
CCSCc1ccc(cc1)C(=O)O
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.264g/mol
Monoisotopic Mass:
196.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties