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141446-87-9 | 1H-Thieno[3,4-b]pyrrole, 4,6-dihydro-, 5,5-dioxide
CAS No: 141446-87-9 Catalog No: AG001GES MDL No:
Product Description
Catalog Number:
AG001GES
Chemical Name:
1H-Thieno[3,4-b]pyrrole, 4,6-dihydro-, 5,5-dioxide
CAS Number:
141446-87-9
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
IUPAC Name:
4,6-dihydro-1H-thieno[3,4-b]pyrrole 5,5-dioxide
InChI:
InChI=1S/C6H7NO2S/c8-10(9)3-5-1-2-7-6(5)4-10/h1-2,7H,3-4H2
InChI Key:
BNYMOAPNNJCDKA-UHFFFAOYSA-N
SMILES:
O=S1(=O)Cc2c(C1)cc[nH]2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.187g/mol
Monoisotopic Mass:
157.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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