200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 13291-44-6
13291-44-6 | Benzenecarbothioic acid, S-(1,1-dimethylethyl) ester
CAS No: 13291-44-6 Catalog No: AG0011DN MDL No:
Product Description
Catalog Number:
AG0011DN
Chemical Name:
Benzenecarbothioic acid, S-(1,1-dimethylethyl) ester
CAS Number:
13291-44-6
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
IUPAC Name:
S-tert-butyl benzenecarbothioate
InChI:
InChI=1S/C11H14OS/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChI Key:
DGJRGQJQZVPKOR-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)SC(C)(C)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.292g/mol
Monoisotopic Mass:
194.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.