Home Carboxys 5-methyl-4-[(methylsulfanyl)methyl]thiophene-2-carboxylic acid

5-methyl-4-[(methylsulfanyl)methyl]thiophene-2-carboxylic acid

CAS No.:
1394041-05-4
Catalog Number:
AG01A02D
Molecular Formula:
C8H10O2S2
Molecular Weight:
202.2938
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Product Description
Catalog Number:
AG01A02D
Chemical Name:
5-methyl-4-[(methylsulfanyl)methyl]thiophene-2-carboxylic acid
CAS Number:
1394041-05-4
Molecular Formula:
C8H10O2S2
Molecular Weight:
202.2938
MDL Number:
MFCD22375418
IUPAC Name:
5-methyl-4-(methylsulfanylmethyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C8H10O2S2/c1-5-6(4-11-2)3-7(12-5)8(9)10/h3H,4H2,1-2H3,(H,9,10)
InChI Key:
QIJGPJZVZPAKLS-UHFFFAOYSA-N
SMILES:
CSCc1cc(sc1C)C(=O)O
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.012g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.286g/mol
Monoisotopic Mass:
202.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties