1-methylsulfanylcyclobutane-1-carbonitrile

C6H9NS — CID 65130992

IUPAC1-methylsulfanylcyclobutane-1-carbonitrile
SMILESCSC1(C#N)CCC1
InChIInChI=1S/C6H9NS/c1-8-6(5-7)3-2-4-6/h2-4H2,1H3
InChIKeyIXZIHYOUGNOYFW-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.80
Rot. Bonds1

About 1-methylsulfanylcyclobutane-1-carbonitrile

1-methylsulfanylcyclobutane-1-carbonitrile (PubChem CID 65130992) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 1-methylsulfanylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-methylsulfanylcyclobutane-1-carbonitrile
PubChem CID65130992
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name1-methylsulfanylcyclobutane-1-carbonitrile
SMILESCSC1(C#N)CCC1
InChIInChI=1S/C6H9NS/c1-8-6(5-7)3-2-4-6/h2-4H2,1H3
InChIKeyIXZIHYOUGNOYFW-UHFFFAOYSA-N
XLogP1.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methylsulfanylcyclobutane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylcyclobutane-1-carbonitrile?
The IUPAC name of 1-methylsulfanylcyclobutane-1-carbonitrile (CID 65130992) is 1-methylsulfanylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-methylsulfanylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-methylsulfanylcyclobutane-1-carbonitrile is CSC1(C#N)CCC1.
What is the InChIKey of 1-methylsulfanylcyclobutane-1-carbonitrile?
The InChIKey is IXZIHYOUGNOYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-8-6(5-7)3-2-4-6/h2-4H2,1H3.
What are the key properties of 1-methylsulfanylcyclobutane-1-carbonitrile?
1-methylsulfanylcyclobutane-1-carbonitrile has a molecular weight of 127.21 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylcyclobutane-1-carbonitrile is sourced from PubChem (CID 65130992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).