Home Sulfos 2-Thiophenecarboxylic acid, 3-chloro-4-[(1-methylethyl)sulfonyl]-5-(methylthio)-

2-Thiophenecarboxylic acid, 3-chloro-4-[(1-methylethyl)sulfonyl]-5-(methylthio)-

CAS No.:
175202-23-0
Catalog Number:
AG0020GO
Molecular Formula:
C9H11ClO4S3
Molecular Weight:
314.8292
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$625
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Product Description
Catalog Number:
AG0020GO
Chemical Name:
2-Thiophenecarboxylic acid, 3-chloro-4-[(1-methylethyl)sulfonyl]-5-(methylthio)-
CAS Number:
175202-23-0
Molecular Formula:
C9H11ClO4S3
Molecular Weight:
314.8292
MDL Number:
MFCD00084959
IUPAC Name:
3-chloro-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylic acid
InChI:
InChI=1S/C9H11ClO4S3/c1-4(2)17(13,14)7-5(10)6(8(11)12)16-9(7)15-3/h4H,1-3H3,(H,11,12)
InChI Key:
ACBKUBNVJZHSGY-UHFFFAOYSA-N
SMILES:
CSc1sc(c(c1S(=O)(=O)C(C)C)Cl)C(=O)O
Properties
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.951g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
314.813g/mol
Monoisotopic Mass:
313.951g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties