200,000+ products from a single source!
sales@angenechem.com
262428-22-8 | Benzoic acid, 2-(aminothio)-, 1-methylethyl ester
CAS No: 262428-22-8 Catalog No: AG002SFA MDL No:
Product Description
Catalog Number:
AG002SFA
Chemical Name:
Benzoic acid, 2-(aminothio)-, 1-methylethyl ester
CAS Number:
262428-22-8
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
IUPAC Name:
propan-2-yl 2-aminosulfanylbenzoate
InChI:
InChI=1S/C10H13NO2S/c1-7(2)13-10(12)8-5-3-4-6-9(8)14-11/h3-7H,11H2,1-2H3
InChI Key:
UPDLXIMCGJHOGL-UHFFFAOYSA-N
SMILES:
NSc1ccccc1C(=O)OC(C)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.