1-methylsulfanylcyclopropane-1-carbonitrile

C5H7NS — CID 22102235

IUPAC1-methylsulfanylcyclopropane-1-carbonitrile
SMILESCSC1(C#N)CC1
InChIInChI=1S/C5H7NS/c1-7-5(4-6)2-3-5/h2-3H2,1H3
InChIKeyGWRIBAFKFJDIAG-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.41
Rot. Bonds1

About 1-methylsulfanylcyclopropane-1-carbonitrile

1-methylsulfanylcyclopropane-1-carbonitrile (PubChem CID 22102235) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 1-methylsulfanylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-methylsulfanylcyclopropane-1-carbonitrile
PubChem CID22102235
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name1-methylsulfanylcyclopropane-1-carbonitrile
SMILESCSC1(C#N)CC1
InChIInChI=1S/C5H7NS/c1-7-5(4-6)2-3-5/h2-3H2,1H3
InChIKeyGWRIBAFKFJDIAG-UHFFFAOYSA-N
XLogP1.41
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylcyclopropane-1-carbonitrile?
The IUPAC name of 1-methylsulfanylcyclopropane-1-carbonitrile (CID 22102235) is 1-methylsulfanylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-methylsulfanylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-methylsulfanylcyclopropane-1-carbonitrile is CSC1(C#N)CC1.
What is the InChIKey of 1-methylsulfanylcyclopropane-1-carbonitrile?
The InChIKey is GWRIBAFKFJDIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-7-5(4-6)2-3-5/h2-3H2,1H3.
What are the key properties of 1-methylsulfanylcyclopropane-1-carbonitrile?
1-methylsulfanylcyclopropane-1-carbonitrile has a molecular weight of 113.18 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylcyclopropane-1-carbonitrile is sourced from PubChem (CID 22102235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).