200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 867191-90-0
867191-90-0 | Benzenecarbothioamide, 4-methoxy-N-[(1R)-1-phenylethyl]-
CAS No: 867191-90-0 Catalog No: AG004O5H MDL No:
Product Description
Catalog Number:
AG004O5H
Chemical Name:
Benzenecarbothioamide, 4-methoxy-N-[(1R)-1-phenylethyl]-
CAS Number:
867191-90-0
Molecular Formula:
C16H17NOS
Molecular Weight:
271.3773
IUPAC Name:
4-methoxy-N-[(1R)-1-phenylethyl]benzenecarbothioamide
InChI:
InChI=1S/C16H17NOS/c1-12(13-6-4-3-5-7-13)17-16(19)14-8-10-15(18-2)11-9-14/h3-12H,1-2H3,(H,17,19)/t12-/m1/s1
InChI Key:
SINKOAJRRDBGMH-GFCCVEGCSA-N
SMILES:
COc1ccc(cc1)C(=S)N[C@@H](c1ccccc1)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
271.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.378g/mol
Monoisotopic Mass:
271.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
© 2019 Angene International Limited. All rights Reserved.