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88234-96-2 | Thiophene, 2-methoxy-3-(methylsulfonyl)-5-(methylthio)-
CAS No: 88234-96-2 Catalog No: AG004CX5 MDL No:
Product Description
Catalog Number:
AG004CX5
Chemical Name:
Thiophene, 2-methoxy-3-(methylsulfonyl)-5-(methylthio)-
CAS Number:
88234-96-2
Molecular Formula:
C7H10O3S3
Molecular Weight:
238.3475
IUPAC Name:
2-methoxy-5-methylsulfanyl-3-methylsulfonylthiophene
InChI:
InChI=1S/C7H10O3S3/c1-10-7-5(13(3,8)9)4-6(11-2)12-7/h4H,1-3H3
InChI Key:
JNRMMMLQVXZBAM-UHFFFAOYSA-N
SMILES:
COc1sc(cc1S(=O)(=O)C)SC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.334g/mol
Monoisotopic Mass:
237.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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