200,000+ products from a single source!
sales@angenechem.com
163401-68-1 | Butanoic acid, 2-chloro-4-(methylthio)-
CAS No: 163401-68-1 Catalog No: AG001U3T MDL No:
Product Description
Catalog Number:
AG001U3T
Chemical Name:
Butanoic acid, 2-chloro-4-(methylthio)-
CAS Number:
163401-68-1
Molecular Formula:
C5H9ClO2S
Molecular Weight:
168.6418
IUPAC Name:
2-chloropentanethioic S-acid
InChI:
InChI=1S/C5H9ClOS/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChI Key:
UERWBAKOACKYSH-UHFFFAOYSA-N
SMILES:
CSCCC(C(=O)O)Cl
Properties
Complexity:
84.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.006g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.636g/mol
Monoisotopic Mass:
152.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Characterization of adducts formed in the reaction of 2-chloro-4-methylthiobutanoic acid with 2'-deoxyguanosine. | Chemical research in toxicology 20051101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.