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264-28-8 | 2-Benzothiepin (8CI,9CI)
CAS No: 264-28-8 Catalog No: AG002T2A MDL No:
Product Description
Catalog Number:
AG002T2A
Chemical Name:
2-Benzothiepin (8CI,9CI)
CAS Number:
264-28-8
Molecular Formula:
C10H8S
Molecular Weight:
160.2355
IUPAC Name:
2-benzothiepine
InChI:
InChI=1S/C10H8S/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-8H
InChI Key:
ZWXFCATYIQTJEX-UHFFFAOYSA-N
SMILES:
C1=CC=c2c(=CS1)cccc2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.234g/mol
Monoisotopic Mass:
160.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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