200,000+ products from a single source!
sales@angenechem.com
40334-89-2 | 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
CAS No: 40334-89-2 Catalog No: AG00JK5A MDL No:MFCD00208281
Product Description
Catalog Number:
AG00JK5A
Chemical Name:
2,2-dimethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
CAS Number:
40334-89-2
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
MDL Number:
MFCD00208281
IUPAC Name:
2,2-dimethyl-3,5-dihydro-1,5-benzothiazepin-4-one
InChI:
InChI=1S/C11H13NOS/c1-11(2)7-10(13)12-8-5-3-4-6-9(8)14-11/h3-6H,7H2,1-2H3,(H,12,13)
InChI Key:
CJNGOGZCBDLPPB-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2SC(C1)(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^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.