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24187-83-5 | 2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine 1,1-dioxide hydrochloride
CAS No: 24187-83-5 Catalog No: AG00BI33 MDL No:MFCD22376718
Product Description
Catalog Number:
AG00BI33
Chemical Name:
2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine 1,1-dioxide hydrochloride
CAS Number:
24187-83-5
Molecular Formula:
C9H12ClNO2S
Molecular Weight:
233.7151
MDL Number:
MFCD22376718
IUPAC Name:
2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide;hydrochloride
InChI:
InChI=1S/C9H11NO2S.ClH/c11-13(12)6-5-10-7-8-3-1-2-4-9(8)13;/h1-4,10H,5-7H2;1H
InChI Key:
KAIOPMIXEGRIDU-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCNCc2c1cccc2.Cl
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.71g/mol
Monoisotopic Mass:
233.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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