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118971-06-5 | 1,5-Benzothiazepine, 2,3-dihydro-4-(methylthio)-
CAS No: 118971-06-5 Catalog No: AG007R8G MDL No:
Product Description
Catalog Number:
AG007R8G
Chemical Name:
1,5-Benzothiazepine, 2,3-dihydro-4-(methylthio)-
CAS Number:
118971-06-5
Molecular Formula:
C10H11NS2
Molecular Weight:
209.3310
IUPAC Name:
4-methylsulfanyl-2,3-dihydro-1,5-benzothiazepine
InChI:
InChI=1S/C10H11NS2/c1-12-10-6-7-13-9-5-3-2-4-8(9)11-10/h2-5H,6-7H2,1H3
InChI Key:
BJORMSVRRSEUER-UHFFFAOYSA-N
SMILES:
CSC1=Nc2ccccc2SCC1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.325g/mol
Monoisotopic Mass:
209.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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