2,2-bis(5-methylthiophen-2-yl)acetic acid

C12H12O2S2 — CID 6611979

IUPAC2,2-bis(5-methylthiophen-2-yl)acetic acid
SMILESCc1ccc(C(C(=O)O)c2ccc(C)s2)s1
InChIInChI=1S/C12H12O2S2/c1-7-3-5-9(15-7)11(12(13)14)10-6-4-8(2)16-10/h3-6,11H,1-2H3,(H,13,14)
InChIKeyMJCQZMPXOVVYJW-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.64
Rot. Bonds3

About 2,2-bis(5-methylthiophen-2-yl)acetic acid

2,2-bis(5-methylthiophen-2-yl)acetic acid (PubChem CID 6611979) has the molecular formula C12H12O2S2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,2-bis(5-methylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2,2-bis(5-methylthiophen-2-yl)acetic acid
PubChem CID6611979
Molecular FormulaC12H12O2S2
Molecular Weight252.36 g/mol
Exact Mass252.03
IUPAC Name2,2-bis(5-methylthiophen-2-yl)acetic acid
SMILESCc1ccc(C(C(=O)O)c2ccc(C)s2)s1
InChIInChI=1S/C12H12O2S2/c1-7-3-5-9(15-7)11(12(13)14)10-6-4-8(2)16-10/h3-6,11H,1-2H3,(H,13,14)
InChIKeyMJCQZMPXOVVYJW-UHFFFAOYSA-N
XLogP3.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 54953706
(2S)-3-methyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 61475940
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
2-[2-(5-methylthiophen-2-yl)propanoylamino]acetic acid
CID 115729711
(2S)-3,3-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 61476029
2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid
CID 63705097
4-[1-(5-methylthiophen-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 61473130
(3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid
CID 130611404
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 61345798
2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61346975
2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61345197
3-methyl-2-[[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 65223596

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(5-methylthiophen-2-yl)acetic acid?
The IUPAC name of 2,2-bis(5-methylthiophen-2-yl)acetic acid (CID 6611979) is 2,2-bis(5-methylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2,2-bis(5-methylthiophen-2-yl)acetic acid?
The canonical SMILES for 2,2-bis(5-methylthiophen-2-yl)acetic acid is Cc1ccc(C(C(=O)O)c2ccc(C)s2)s1.
What is the InChIKey of 2,2-bis(5-methylthiophen-2-yl)acetic acid?
The InChIKey is MJCQZMPXOVVYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S2/c1-7-3-5-9(15-7)11(12(13)14)10-6-4-8(2)16-10/h3-6,11H,1-2H3,(H,13,14).
What are the key properties of 2,2-bis(5-methylthiophen-2-yl)acetic acid?
2,2-bis(5-methylthiophen-2-yl)acetic acid has a molecular weight of 252.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(5-methylthiophen-2-yl)acetic acid is sourced from PubChem (CID 6611979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).