2,2-bis(sulfanyl)acetonitrile;molecular fluorine

C2H3F2NS2 — CID 141407330

IUPAC2,2-bis(sulfanyl)acetonitrile;molecular fluorine
SMILESFF.N#CC(S)S
InChIInChI=1S/C2H3NS2.F2/c3-1-2(4)5;1-2/h2,4-5H;
InChIKeyLJDVJZXSSKDDDA-UHFFFAOYSA-N
MW143.18 g/mol
LogP1.54
Rot. Bonds

About 2,2-bis(sulfanyl)acetonitrile;molecular fluorine

2,2-bis(sulfanyl)acetonitrile;molecular fluorine (PubChem CID 141407330) has the molecular formula C2H3F2NS2 and a molecular weight of 143.18 g/mol. Its IUPAC name is 2,2-bis(sulfanyl)acetonitrile;molecular fluorine.

Molecular Properties

Compound Name2,2-bis(sulfanyl)acetonitrile;molecular fluorine
PubChem CID141407330
Molecular FormulaC2H3F2NS2
Molecular Weight143.18 g/mol
Exact Mass142.97
IUPAC Name2,2-bis(sulfanyl)acetonitrile;molecular fluorine
SMILESFF.N#CC(S)S
InChIInChI=1S/C2H3NS2.F2/c3-1-2(4)5;1-2/h2,4-5H;
InChIKeyLJDVJZXSSKDDDA-UHFFFAOYSA-N
XLogP1.54
TPSA23.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.18
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(sulfanyl)acetonitrile;molecular fluorine?
The IUPAC name of 2,2-bis(sulfanyl)acetonitrile;molecular fluorine (CID 141407330) is 2,2-bis(sulfanyl)acetonitrile;molecular fluorine.
What is the SMILES notation for 2,2-bis(sulfanyl)acetonitrile;molecular fluorine?
The canonical SMILES for 2,2-bis(sulfanyl)acetonitrile;molecular fluorine is FF.N#CC(S)S.
What is the InChIKey of 2,2-bis(sulfanyl)acetonitrile;molecular fluorine?
The InChIKey is LJDVJZXSSKDDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NS2.F2/c3-1-2(4)5;1-2/h2,4-5H;.
What are the key properties of 2,2-bis(sulfanyl)acetonitrile;molecular fluorine?
2,2-bis(sulfanyl)acetonitrile;molecular fluorine has a molecular weight of 143.18 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(sulfanyl)acetonitrile;molecular fluorine is sourced from PubChem (CID 141407330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).