2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile

C10H3N5S2 — CID 172638266

IUPAC2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile
SMILESN#CC(C#N)=C(C(C#N)=C(S)S)C(C#N)C#N
InChIInChI=1S/C10H3N5S2/c11-1-6(2-12)9(7(3-13)4-14)8(5-15)10(16)17/h6,16-17H
InChIKeyUBBRYUQEHILWKW-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.59
Rot. Bonds2

About 2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile

2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile (PubChem CID 172638266) has the molecular formula C10H3N5S2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile.

Molecular Properties

Compound Name2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile
PubChem CID172638266
Molecular FormulaC10H3N5S2
Molecular Weight257.30 g/mol
Exact Mass256.98
IUPAC Name2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile
SMILESN#CC(C#N)=C(C(C#N)=C(S)S)C(C#N)C#N
InChIInChI=1S/C10H3N5S2/c11-1-6(2-12)9(7(3-13)4-14)8(5-15)10(16)17/h6,16-17H
InChIKeyUBBRYUQEHILWKW-UHFFFAOYSA-N
XLogP1.59
TPSA118.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile?
The IUPAC name of 2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile (CID 172638266) is 2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile.
What is the SMILES notation for 2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile?
The canonical SMILES for 2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile is N#CC(C#N)=C(C(C#N)=C(S)S)C(C#N)C#N.
What is the InChIKey of 2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile?
The InChIKey is UBBRYUQEHILWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3N5S2/c11-1-6(2-12)9(7(3-13)4-14)8(5-15)10(16)17/h6,16-17H.
What are the key properties of 2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile?
2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile has a molecular weight of 257.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyano-2,2-bis(sulfanyl)ethenyl]prop-1-ene-1,1,3,3-tetracarbonitrile is sourced from PubChem (CID 172638266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).