Cc1ccc(C(=O)O)s1
CAS: 1918-79-2
Name: 5-methylthiophene-2-carboxylic acid
SMILES: Cc1ccc(C(=O)O)s1

Molecular Processing

Molecular formula
C6H6O2S
Molecular weight
142.18
Exact mass
142.0089
XLogP
1.75
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
36.02

Supplementary Information

InChIKey: VCNGNQLPFHVODE-UHFFFAOYSA-N
Synonyme
1918-79-25-Methylthiophene-2-carboxylic acid5-METHYL-2-THIOPHENECARBOXYLIC ACID2-Thiophenecarboxylic acid, 5-methyl-2-Carboxy-5-methylthiophene5SX6CX4FJB2-Methyl-5-thiophenecarboxylic acidEINECS 217-640-3NSC-89698DTXSID60172712NSC 89698RefChem:537354DTXCID0095203217-640-35-Methyl-2-thenoic AcidMFCD000054395-methyl-thiophene-2-carboxylic acidCHEMBL42838975-Methylthiophen-2-carboxylic acidNSC896985-Methyl-2-thiophene carboxylic acidRivaroxaban Impurity 51UNII-5SX6CX4FJB5-methyl-2-thienoic acidSCHEMBL77302BIDD:GT0424SCHEMBL1291275-methyl-2-thiophenecarboxylicorb3030622CHEBI:194847
Quelle anzeigen →
An 112 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→