3-phenylprop-1-ene-1-thione

C9H8S — CID 57235998

IUPAC3-phenylprop-1-ene-1-thione
SMILESS=C=CCc1ccccc1
InChIInChI=1S/C9H8S/c10-8-4-7-9-5-2-1-3-6-9/h1-6H,7H2
InChIKeyLAOWXXUDLLKCIF-UHFFFAOYSA-N
MW148.23 g/mol
LogP2.38
Rot. Bonds2

About 3-phenylprop-1-ene-1-thione

3-phenylprop-1-ene-1-thione (PubChem CID 57235998) has the molecular formula C9H8S and a molecular weight of 148.23 g/mol. Its IUPAC name is 3-phenylprop-1-ene-1-thione.

Molecular Properties

Compound Name3-phenylprop-1-ene-1-thione
PubChem CID57235998
Molecular FormulaC9H8S
Molecular Weight148.23 g/mol
Exact Mass148.03
IUPAC Name3-phenylprop-1-ene-1-thione
SMILESS=C=CCc1ccccc1
InChIInChI=1S/C9H8S/c10-8-4-7-9-5-2-1-3-6-9/h1-6H,7H2
InChIKeyLAOWXXUDLLKCIF-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-phenylhexa-3,4-dien-2-ol
CID 134995194
prop-2-enylbenzene
CID 159998516
CID 173481561
CID 173481561
ethylbenzene;isothiocyanic acid
CID 174420484
methyl 6-phenylhexa-3,4-dienoate
CID 10488318
6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
prop-2-enylbenzene;dihydrochloride
CID 174768742
phosphane;prop-2-enylbenzene
CID 87328808
lithium;hydride;2-phenylacetaldehyde
CID 173089556
CID 173215164
CID 173215164
N-benzyl-2-phenylethanamine;isothiocyanic acid
CID 87452788
(Z)-5-phenylpent-3-enenitrile
CID 102025898

Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-1-ene-1-thione?
The IUPAC name of 3-phenylprop-1-ene-1-thione (CID 57235998) is 3-phenylprop-1-ene-1-thione.
What is the SMILES notation for 3-phenylprop-1-ene-1-thione?
The canonical SMILES for 3-phenylprop-1-ene-1-thione is S=C=CCc1ccccc1.
What is the InChIKey of 3-phenylprop-1-ene-1-thione?
The InChIKey is LAOWXXUDLLKCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S/c10-8-4-7-9-5-2-1-3-6-9/h1-6H,7H2.
What are the key properties of 3-phenylprop-1-ene-1-thione?
3-phenylprop-1-ene-1-thione has a molecular weight of 148.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylprop-1-ene-1-thione is sourced from PubChem (CID 57235998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).