200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 139007-44-6
139007-44-6 | Butanethioic acid, 3-methyl-, S-2-pyridinyl ester
CAS No: 139007-44-6 Catalog No: AG0019ZV MDL No:
Product Description
Catalog Number:
AG0019ZV
Chemical Name:
Butanethioic acid, 3-methyl-, S-2-pyridinyl ester
CAS Number:
139007-44-6
Molecular Formula:
C10H13NOS
Molecular Weight:
195.2813
IUPAC Name:
S-pyridin-2-yl 3-methylbutanethioate
InChI:
InChI=1S/C10H13NOS/c1-8(2)7-10(12)13-9-5-3-4-6-11-9/h3-6,8H,7H2,1-2H3
InChI Key:
QBCAXARDGCBUST-UHFFFAOYSA-N
SMILES:
CC(CC(=O)Sc1ccccn1)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.28g/mol
Monoisotopic Mass:
195.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.