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119715-40-1 | Thiophene, 2-[bis(phenylsulfonyl)methyl]-
CAS No: 119715-40-1 Catalog No: AG000PI8 MDL No:
Product Description
Catalog Number:
AG000PI8
Chemical Name:
Thiophene, 2-[bis(phenylsulfonyl)methyl]-
CAS Number:
119715-40-1
Molecular Formula:
C17H14O4S3
Molecular Weight:
378.4857
IUPAC Name:
2-[bis(benzenesulfonyl)methyl]thiophene
InChI:
InChI=1S/C17H14O4S3/c18-23(19,14-8-3-1-4-9-14)17(16-12-7-13-22-16)24(20,21)15-10-5-2-6-11-15/h1-13,17H
InChI Key:
PTOSJLSTIKAOJU-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(S(=O)(=O)c1ccccc1)c1cccs1)c1ccccc1
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.005g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.475g/mol
Monoisotopic Mass:
378.005g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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