200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 102496-83-3
102496-83-3 | 3-Pentenethioic acid, 4-methyl-, S-phenyl ester
CAS No: 102496-83-3 Catalog No: AG0007KG MDL No:
Product Description
Catalog Number:
AG0007KG
Chemical Name:
3-Pentenethioic acid, 4-methyl-, S-phenyl ester
CAS Number:
102496-83-3
Molecular Formula:
C12H14OS
Molecular Weight:
206.3040
IUPAC Name:
S-phenyl 4-methylpent-3-enethioate
InChI:
InChI=1S/C12H14OS/c1-10(2)8-9-12(13)14-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChI Key:
BUTWIHUHJUAXAB-UHFFFAOYSA-N
SMILES:
O=C(Sc1ccccc1)CC=C(C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.303g/mol
Monoisotopic Mass:
206.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.