Home Other Building Blocks 2-[(3-methylbutyl)sulfanyl]acetic acid

2-[(3-methylbutyl)sulfanyl]acetic acid

CAS No.:
857557-30-3
Catalog Number:
AG019X97
Molecular Formula:
C7H14O2S
Molecular Weight:
162.2499
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Product Description
Catalog Number:
AG019X97
Chemical Name:
2-[(3-methylbutyl)sulfanyl]acetic acid
CAS Number:
857557-30-3
Molecular Formula:
C7H14O2S
Molecular Weight:
162.2499
MDL Number:
MFCD08445062
IUPAC Name:
2-(3-methylbutylsulfanyl)acetic acid
InChI:
InChI=1S/C7H14O2S/c1-6(2)3-4-10-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChI Key:
NPSXKQOUJQGWPS-UHFFFAOYSA-N
SMILES:
CC(CCSCC(=O)O)C
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.071g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.247g/mol
Monoisotopic Mass:
162.071g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties