200,000+ products from a single source!
sales@angenechem.com
13338-13-1 | 2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine
CAS No: 13338-13-1 Catalog No: AG00AJ9S MDL No:
Product Description
Catalog Number:
AG00AJ9S
Chemical Name:
2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine
CAS Number:
13338-13-1
IUPAC Name:
2,2,4-trimethyl-4,5-dihydro-3H-1,5-benzothiazepine
InChI:
InChI=1S/C12H17NS/c1-9-8-12(2,3)14-11-7-5-4-6-10(11)13-9/h4-7,9,13H,8H2,1-3H3
InChI Key:
URHIRPNXXQDFFA-UHFFFAOYSA-N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.108g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.335g/mol
Monoisotopic Mass:
207.108g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| (R)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine and rac-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine: chains built from N-H... Sand C-H...pi(arene) hydrogen bonds. | Acta crystallographica. Section C, Crystal structure communications 20040501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.