sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride

C3H4NNaS2 — CID 174791181

IUPACsodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride
SMILESN#CC=C(S)S.[H-].[Na+]
InChIInChI=1S/C3H3NS2.Na.H/c4-2-1-3(5)6;;/h1,5-6H;;/q;+1;-1
InChIKeyANAZJRVQSFCDSH-UHFFFAOYSA-N
MW141.20 g/mol
LogP-1.67
Rot. Bonds

About sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride

sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride (PubChem CID 174791181) has the molecular formula C3H4NNaS2 and a molecular weight of 141.20 g/mol. Its IUPAC name is sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride.

Molecular Properties

Compound Namesodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride
PubChem CID174791181
Molecular FormulaC3H4NNaS2
Molecular Weight141.20 g/mol
Exact Mass140.97
IUPAC Namesodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride
SMILESN#CC=C(S)S.[H-].[Na+]
InChIInChI=1S/C3H3NS2.Na.H/c4-2-1-3(5)6;;/h1,5-6H;;/q;+1;-1
InChIKeyANAZJRVQSFCDSH-UHFFFAOYSA-N
XLogP-1.67
TPSA23.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride?
The IUPAC name of sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride (CID 174791181) is sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride.
What is the SMILES notation for sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride?
The canonical SMILES for sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride is N#CC=C(S)S.[H-].[Na+].
What is the InChIKey of sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride?
The InChIKey is ANAZJRVQSFCDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NS2.Na.H/c4-2-1-3(5)6;;/h1,5-6H;;/q;+1;-1.
What are the key properties of sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride?
sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride has a molecular weight of 141.20 g/mol, XLogP of -1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride is sourced from PubChem (CID 174791181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).