2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile

C12H10N2S2 — CID 102625035

IUPAC2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile
SMILESN#CCc1cc(Sc2cccs2)ccc1N
InChIInChI=1S/C12H10N2S2/c13-6-5-9-8-10(3-4-11(9)14)16-12-2-1-7-15-12/h1-4,7-8H,5,14H2
InChIKeyNWOTXGGBKSVTKF-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.55
Rot. Bonds3

About 2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile

2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile (PubChem CID 102625035) has the molecular formula C12H10N2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile
PubChem CID102625035
Molecular FormulaC12H10N2S2
Molecular Weight246.36 g/mol
Exact Mass246.03
IUPAC Name2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile
SMILESN#CCc1cc(Sc2cccs2)ccc1N
InChIInChI=1S/C12H10N2S2/c13-6-5-9-8-10(3-4-11(9)14)16-12-2-1-7-15-12/h1-4,7-8H,5,14H2
InChIKeyNWOTXGGBKSVTKF-UHFFFAOYSA-N
XLogP3.55
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-(3-chlorophenyl)sulfanylphenyl]acetonitrile
CID 102625066
2-[2-amino-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]acetonitrile
CID 102625100
2-(2-amino-5-pyrazin-2-ylsulfanylphenyl)acetonitrile
CID 102625080
2-(2-amino-5-butylsulfanylphenyl)acetonitrile
CID 102625047
1-(2-amino-4-thiophen-2-ylsulfanylphenyl)ethanone
CID 104529425
2-[2-amino-5-[ethyl(thiophen-2-ylmethyl)amino]phenyl]acetonitrile
CID 102624009
(2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol
CID 63813796
2-(4-nitrophenyl)sulfanylthiophene
CID 51063980
3-methyl-5-thiophen-2-ylsulfanylaniline
CID 112648742
2-(thiophen-2-ylsulfanylmethyl)aniline
CID 28602800
2-[2-amino-5-(methylamino)phenyl]acetonitrile
CID 102623706
2-[2-amino-5-(3-methylsulfanylanilino)phenyl]acetonitrile
CID 102623761

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile?
The IUPAC name of 2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile (CID 102625035) is 2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile.
What is the SMILES notation for 2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile?
The canonical SMILES for 2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile is N#CCc1cc(Sc2cccs2)ccc1N.
What is the InChIKey of 2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile?
The InChIKey is NWOTXGGBKSVTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S2/c13-6-5-9-8-10(3-4-11(9)14)16-12-2-1-7-15-12/h1-4,7-8H,5,14H2.
What are the key properties of 2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile?
2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile has a molecular weight of 246.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-thiophen-2-ylsulfanylphenyl)acetonitrile is sourced from PubChem (CID 102625035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).