1-methylsulfanyl-3-thionitrosopropane

C4H9NS2 — CID 162829433

IUPAC1-methylsulfanyl-3-thionitrosopropane
SMILESCSCCCN=S
InChIInChI=1S/C4H9NS2/c1-7-4-2-3-5-6/h2-4H2,1H3
InChIKeyYUURDGPZWIFYRW-UHFFFAOYSA-N
MW135.26 g/mol
LogP1.47
Rot. Bonds4

About 1-methylsulfanyl-3-thionitrosopropane

1-methylsulfanyl-3-thionitrosopropane (PubChem CID 162829433) has the molecular formula C4H9NS2 and a molecular weight of 135.26 g/mol. Its IUPAC name is 1-methylsulfanyl-3-thionitrosopropane.

Molecular Properties

Compound Name1-methylsulfanyl-3-thionitrosopropane
PubChem CID162829433
Molecular FormulaC4H9NS2
Molecular Weight135.26 g/mol
Exact Mass135.02
IUPAC Name1-methylsulfanyl-3-thionitrosopropane
SMILESCSCCCN=S
InChIInChI=1S/C4H9NS2/c1-7-4-2-3-5-6/h2-4H2,1H3
InChIKeyYUURDGPZWIFYRW-UHFFFAOYSA-N
XLogP1.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-thionitrosopropane?
The IUPAC name of 1-methylsulfanyl-3-thionitrosopropane (CID 162829433) is 1-methylsulfanyl-3-thionitrosopropane.
What is the SMILES notation for 1-methylsulfanyl-3-thionitrosopropane?
The canonical SMILES for 1-methylsulfanyl-3-thionitrosopropane is CSCCCN=S.
What is the InChIKey of 1-methylsulfanyl-3-thionitrosopropane?
The InChIKey is YUURDGPZWIFYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS2/c1-7-4-2-3-5-6/h2-4H2,1H3.
What are the key properties of 1-methylsulfanyl-3-thionitrosopropane?
1-methylsulfanyl-3-thionitrosopropane has a molecular weight of 135.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-thionitrosopropane is sourced from PubChem (CID 162829433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).