(Z)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide

C10H6Cl2N2S — CID 712119

IUPAC(Z)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide
SMILESN#C/C(=C/c1ccc(Cl)cc1Cl)C(N)=S
InChIInChI=1S/C10H6Cl2N2S/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-4H,(H2,14,15)/b7-3-
InChIKeyVZFULLMAHIALTN-CLTKARDFSA-N
MW257.15 g/mol
LogP3.19
Rot. Bonds2

About (Z)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide

(Z)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide (PubChem CID 712119) has the molecular formula C10H6Cl2N2S and a molecular weight of 257.15 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide
PubChem CID712119
Molecular FormulaC10H6Cl2N2S
Molecular Weight257.15 g/mol
Exact Mass255.96
IUPAC Name(Z)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide
SMILESN#C/C(=C/c1ccc(Cl)cc1Cl)C(N)=S
InChIInChI=1S/C10H6Cl2N2S/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-4H,(H2,14,15)/b7-3-
InChIKeyVZFULLMAHIALTN-CLTKARDFSA-N
XLogP3.19
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,4-dichlorophenyl)prop-2-enethioamide?
The IUPAC name of (Z)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide (CID 712119) is (Z)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide.
What is the SMILES notation for (Z)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide?
The canonical SMILES for (Z)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide is N#C/C(=C/c1ccc(Cl)cc1Cl)C(N)=S.
What is the InChIKey of (Z)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide?
The InChIKey is VZFULLMAHIALTN-CLTKARDFSA-N. The full InChI is InChI=1S/C10H6Cl2N2S/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-4H,(H2,14,15)/b7-3-.
What are the key properties of (Z)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide?
(Z)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide has a molecular weight of 257.15 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide is sourced from PubChem (CID 712119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).