200,000+ products from a single source!
sales@angenechem.com
145903-31-7 | 1,4-Benzothiazepine, 2,3,4,5-tetrahydro-7-methoxy-
CAS No: 145903-31-7 Catalog No: AG001DHV MDL No:MFCD11112160
Product Description
Catalog Number:
AG001DHV
Chemical Name:
1,4-Benzothiazepine, 2,3,4,5-tetrahydro-7-methoxy-
CAS Number:
145903-31-7
Molecular Formula:
C10H13NOS
Molecular Weight:
195.2813
MDL Number:
MFCD11112160
IUPAC Name:
7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine
InChI:
InChI=1S/C10H13NOS/c1-12-9-2-3-10-8(6-9)7-11-4-5-13-10/h2-3,6,11H,4-5,7H2,1H3
InChI Key:
VXSSDKLUAZVADY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CNCCS2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.28g/mol
Monoisotopic Mass:
195.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.