200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 13749-76-3
13749-76-3 | 2-Thiophenecarbothioic acid, O-ethyl ester
CAS No: 13749-76-3 Catalog No: AG0013D3 MDL No:
Product Description
Catalog Number:
AG0013D3
Chemical Name:
2-Thiophenecarbothioic acid, O-ethyl ester
CAS Number:
13749-76-3
Molecular Formula:
C7H8OS2
Molecular Weight:
172.2678
IUPAC Name:
O-ethyl thiophene-2-carbothioate
InChI:
InChI=1S/C7H8OS2/c1-2-8-7(9)6-4-3-5-10-6/h3-5H,2H2,1H3
InChI Key:
APLVEDADPXPMGB-UHFFFAOYSA-N
SMILES:
CCOC(=S)c1cccs1
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.002g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.26g/mol
Monoisotopic Mass:
172.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.