(Z)-2-cyano-3-phenylprop-2-enethioamide

C10H8N2S — CID 1487476

IUPAC(Z)-2-cyano-3-phenylprop-2-enethioamide
SMILESN#C/C(=C/c1ccccc1)C(N)=S
InChIInChI=1S/C10H8N2S/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H2,12,13)/b9-6-
InChIKeyDFVRLZLNOKWNEH-TWGQIWQCSA-N
MW188.25 g/mol
LogP1.88
Rot. Bonds2

About (Z)-2-cyano-3-phenylprop-2-enethioamide

(Z)-2-cyano-3-phenylprop-2-enethioamide (PubChem CID 1487476) has the molecular formula C10H8N2S and a molecular weight of 188.25 g/mol. Its IUPAC name is (Z)-2-cyano-3-phenylprop-2-enethioamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-phenylprop-2-enethioamide
PubChem CID1487476
Molecular FormulaC10H8N2S
Molecular Weight188.25 g/mol
Exact Mass188.04
IUPAC Name(Z)-2-cyano-3-phenylprop-2-enethioamide
SMILESN#C/C(=C/c1ccccc1)C(N)=S
InChIInChI=1S/C10H8N2S/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H2,12,13)/b9-6-
InChIKeyDFVRLZLNOKWNEH-TWGQIWQCSA-N
XLogP1.88
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.88
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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Related Compounds

2-cyano-3-(3-phenylphenyl)prop-2-enethioamide
CID 176980528
2-cyano-3-(4-cyanophenyl)prop-2-enethioamide
CID 3453601
(E)-2-cyano-3-(4-ethylphenyl)prop-2-enethioamide
CID 6167379
2-cyano-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enethioamide
CID 163117930
2-cyano-3-(2-phenylphenyl)prop-2-enethioamide
CID 176980475
(2Z)-2-benzylidene-3-methylidenebutanedinitrile
CID 88843366
2-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)phenoxy]acetic acid
CID 2981874
2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enethioamide
CID 5070292
[4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)phenyl] acetate
CID 3637754
(E)-2-cyano-3-selenophen-2-ylprop-2-enethioamide
CID 6391057
2-[4-[(Z)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenoxy]acetamide
CID 23007459
(E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enethioamide
CID 24650034

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-phenylprop-2-enethioamide?
The IUPAC name of (Z)-2-cyano-3-phenylprop-2-enethioamide (CID 1487476) is (Z)-2-cyano-3-phenylprop-2-enethioamide.
What is the SMILES notation for (Z)-2-cyano-3-phenylprop-2-enethioamide?
The canonical SMILES for (Z)-2-cyano-3-phenylprop-2-enethioamide is N#C/C(=C/c1ccccc1)C(N)=S.
What is the InChIKey of (Z)-2-cyano-3-phenylprop-2-enethioamide?
The InChIKey is DFVRLZLNOKWNEH-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H8N2S/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H2,12,13)/b9-6-.
What are the key properties of (Z)-2-cyano-3-phenylprop-2-enethioamide?
(Z)-2-cyano-3-phenylprop-2-enethioamide has a molecular weight of 188.25 g/mol, XLogP of 1.88, 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-phenylprop-2-enethioamide is sourced from PubChem (CID 1487476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).