(Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide

C8H6N2S2 — CID 679428

IUPAC(Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide
SMILESN#C/C(=C/c1cccs1)C(N)=S
InChIInChI=1S/C8H6N2S2/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)/b6-4-
InChIKeyJWIZEODTYIBLTL-XQRVVYSFSA-N
MW194.28 g/mol
LogP1.94
Rot. Bonds2

About (Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide

(Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide (PubChem CID 679428) has the molecular formula C8H6N2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is (Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide
PubChem CID679428
Molecular FormulaC8H6N2S2
Molecular Weight194.28 g/mol
Exact Mass194.00
IUPAC Name(Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide
SMILESN#C/C(=C/c1cccs1)C(N)=S
InChIInChI=1S/C8H6N2S2/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)/b6-4-
InChIKeyJWIZEODTYIBLTL-XQRVVYSFSA-N
XLogP1.94
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide?
The IUPAC name of (Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide (CID 679428) is (Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide.
What is the SMILES notation for (Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide?
The canonical SMILES for (Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide is N#C/C(=C/c1cccs1)C(N)=S.
What is the InChIKey of (Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide?
The InChIKey is JWIZEODTYIBLTL-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H6N2S2/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)/b6-4-.
What are the key properties of (Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide?
(Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide has a molecular weight of 194.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-thiophen-2-ylprop-2-enethioamide is sourced from PubChem (CID 679428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).