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113688-14-5 | Thieno[3',2':3,4]cyclopent[1,2-b]azirine (9CI)
CAS No: 113688-14-5 Catalog No: AG0009BN MDL No:
Product Description
Catalog Number:
AG0009BN
Chemical Name:
Thieno[3',2':3,4]cyclopent[1,2-b]azirine (9CI)
CAS Number:
113688-14-5
Molecular Formula:
C7H3NS
Molecular Weight:
133.1704
IUPAC Name:
7-thia-3-azatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene
InChI:
InChI=1S/C7H3NS/c1-2-9-6-3-5-7(8-5)4(1)6/h1-3H
InChI Key:
NEZWDXALLDNBNF-UHFFFAOYSA-N
SMILES:
c1sc2c(c1)c1c(c2)n1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.999g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.168g/mol
Monoisotopic Mass:
132.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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