Home Halogens 7-chloro-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine hydrochloride

7-chloro-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine hydrochloride

CAS No.:
1461714-94-2
Catalog Number:
AG01A6KX
Molecular Formula:
C10H13Cl2NS
Molecular Weight:
250.1879
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Product Description
Catalog Number:
AG01A6KX
Chemical Name:
7-chloro-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine hydrochloride
CAS Number:
1461714-94-2
Molecular Formula:
C10H13Cl2NS
Molecular Weight:
250.1879
MDL Number:
MFCD25970341
IUPAC Name:
7-chloro-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine;hydrochloride
InChI:
InChI=1S/C10H12ClNS.ClH/c1-7-5-12-9-4-8(11)2-3-10(9)13-6-7;/h2-4,7,12H,5-6H2,1H3;1H
InChI Key:
ODNHJQBSXXNZIO-UHFFFAOYSA-N
SMILES:
CC1CNc2c(SC1)ccc(c2)Cl.Cl
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
250.181g/mol
Monoisotopic Mass:
249.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties