2-amino-4-thiophen-2-ylsulfanylbutanenitrile

C8H10N2S2 — CID 63055113

IUPAC2-amino-4-thiophen-2-ylsulfanylbutanenitrile
SMILESN#CC(N)CCSc1cccs1
InChIInChI=1S/C8H10N2S2/c9-6-7(10)3-5-12-8-2-1-4-11-8/h1-2,4,7H,3,5,10H2
InChIKeyROPWLXQVYZDQEB-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.08
Rot. Bonds4

About 2-amino-4-thiophen-2-ylsulfanylbutanenitrile

2-amino-4-thiophen-2-ylsulfanylbutanenitrile (PubChem CID 63055113) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is 2-amino-4-thiophen-2-ylsulfanylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-thiophen-2-ylsulfanylbutanenitrile
PubChem CID63055113
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC Name2-amino-4-thiophen-2-ylsulfanylbutanenitrile
SMILESN#CC(N)CCSc1cccs1
InChIInChI=1S/C8H10N2S2/c9-6-7(10)3-5-12-8-2-1-4-11-8/h1-2,4,7H,3,5,10H2
InChIKeyROPWLXQVYZDQEB-UHFFFAOYSA-N
XLogP2.08
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-thiophen-2-ylsulfanylbutanenitrile?
The IUPAC name of 2-amino-4-thiophen-2-ylsulfanylbutanenitrile (CID 63055113) is 2-amino-4-thiophen-2-ylsulfanylbutanenitrile.
What is the SMILES notation for 2-amino-4-thiophen-2-ylsulfanylbutanenitrile?
The canonical SMILES for 2-amino-4-thiophen-2-ylsulfanylbutanenitrile is N#CC(N)CCSc1cccs1.
What is the InChIKey of 2-amino-4-thiophen-2-ylsulfanylbutanenitrile?
The InChIKey is ROPWLXQVYZDQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2/c9-6-7(10)3-5-12-8-2-1-4-11-8/h1-2,4,7H,3,5,10H2.
What are the key properties of 2-amino-4-thiophen-2-ylsulfanylbutanenitrile?
2-amino-4-thiophen-2-ylsulfanylbutanenitrile has a molecular weight of 198.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-thiophen-2-ylsulfanylbutanenitrile is sourced from PubChem (CID 63055113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).