(Z)-2-phenyl-3-sulfanylprop-2-enenitrile

C9H7NS — CID 134999873

IUPAC(Z)-2-phenyl-3-sulfanylprop-2-enenitrile
SMILESN#C/C(=C\S)c1ccccc1
InChIInChI=1S/C9H7NS/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,7,11H/b9-7+
InChIKeyZNXCVTDKRDNELE-VQHVLOKHSA-N
MW161.23 g/mol
LogP2.48
Rot. Bonds1

About (Z)-2-phenyl-3-sulfanylprop-2-enenitrile

(Z)-2-phenyl-3-sulfanylprop-2-enenitrile (PubChem CID 134999873) has the molecular formula C9H7NS and a molecular weight of 161.23 g/mol. Its IUPAC name is (Z)-2-phenyl-3-sulfanylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-phenyl-3-sulfanylprop-2-enenitrile
PubChem CID134999873
Molecular FormulaC9H7NS
Molecular Weight161.23 g/mol
Exact Mass161.03
IUPAC Name(Z)-2-phenyl-3-sulfanylprop-2-enenitrile
SMILESN#C/C(=C\S)c1ccccc1
InChIInChI=1S/C9H7NS/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,7,11H/b9-7+
InChIKeyZNXCVTDKRDNELE-VQHVLOKHSA-N
XLogP2.48
TPSA23.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile
CID 177424330
4-oxo-2-phenylpent-2-enenitrile
CID 91279412
(Z)-2-phenylhex-2-enenitrile
CID 5463415
(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896
(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
CID 122394128
(E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile
CID 126370326
N-(2-cyano-2-phenylethenyl)benzamide
CID 570201
3-azulen-1-yl-2-phenylprop-2-enenitrile
CID 141486113
(E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile
CID 7372758
(Z)-3-(3,4-dihydroxyphenyl)-2-phenylprop-2-enenitrile
CID 22080485
2-phenyl-3-propan-2-ylsulfonylprop-2-enenitrile
CID 67333624
(Z)-3-tert-butylsulfonyl-2-phenylprop-2-enenitrile
CID 66911585

Frequently Asked Questions

What is the IUPAC name of (Z)-2-phenyl-3-sulfanylprop-2-enenitrile?
The IUPAC name of (Z)-2-phenyl-3-sulfanylprop-2-enenitrile (CID 134999873) is (Z)-2-phenyl-3-sulfanylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-phenyl-3-sulfanylprop-2-enenitrile?
The canonical SMILES for (Z)-2-phenyl-3-sulfanylprop-2-enenitrile is N#C/C(=C\S)c1ccccc1.
What is the InChIKey of (Z)-2-phenyl-3-sulfanylprop-2-enenitrile?
The InChIKey is ZNXCVTDKRDNELE-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H7NS/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,7,11H/b9-7+.
What are the key properties of (Z)-2-phenyl-3-sulfanylprop-2-enenitrile?
(Z)-2-phenyl-3-sulfanylprop-2-enenitrile has a molecular weight of 161.23 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenyl-3-sulfanylprop-2-enenitrile is sourced from PubChem (CID 134999873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).