2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid

C12H10N2O2S2 — CID 141192059

IUPAC2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid
SMILESO=C(O)CSc1ncccc1Sc1ccncc1
InChIInChI=1S/C12H10N2O2S2/c15-11(16)8-17-12-10(2-1-5-14-12)18-9-3-6-13-7-4-9/h1-7H,8H2,(H,15,16)
InChIKeyPYIGXCXXDMACIK-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.80
Rot. Bonds5

About 2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid

2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid (PubChem CID 141192059) has the molecular formula C12H10N2O2S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid
PubChem CID141192059
Molecular FormulaC12H10N2O2S2
Molecular Weight278.36 g/mol
Exact Mass278.02
IUPAC Name2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid
SMILESO=C(O)CSc1ncccc1Sc1ccncc1
InChIInChI=1S/C12H10N2O2S2/c15-11(16)8-17-12-10(2-1-5-14-12)18-9-3-6-13-7-4-9/h1-7H,8H2,(H,15,16)
InChIKeyPYIGXCXXDMACIK-UHFFFAOYSA-N
XLogP2.80
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid
CID 24707226
2-[(3-carbamimidoyl-2-pyridinyl)sulfanyl]acetic acid
CID 82240600
2-(3-aminopyrazin-2-yl)sulfanylacetic acid
CID 106677989
N-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide
CID 90073674
[2-(2-oxopropylsulfanyl)-3-pyridinyl] acetate
CID 155587288
2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]acetic acid
CID 82244984
2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid
CID 95916168
2-pyridin-4-ylsulfanylpyrimidine
CID 118723746
2-[(3-bromo-4-pyridinyl)sulfanyl]acetic acid
CID 104776610
N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 92897230
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
3-[(3-bromo-2-pyridinyl)sulfanyl]propanoic acid
CID 61373345

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid?
The IUPAC name of 2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid (CID 141192059) is 2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid is O=C(O)CSc1ncccc1Sc1ccncc1.
What is the InChIKey of 2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid?
The InChIKey is PYIGXCXXDMACIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S2/c15-11(16)8-17-12-10(2-1-5-14-12)18-9-3-6-13-7-4-9/h1-7H,8H2,(H,15,16).
What are the key properties of 2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid?
2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid has a molecular weight of 278.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid is sourced from PubChem (CID 141192059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).