prop-1-enylbenzene;thiourea

C10H14N2S — CID 172856640

IUPACprop-1-enylbenzene;thiourea
SMILESCC=Cc1ccccc1.NC(N)=S
InChIInChI=1S/C9H10.CH4N2S/c1-2-6-9-7-4-3-5-8-9;2-1(3)4/h2-8H,1H3;(H4,2,3,4)
InChIKeyYUGUTGRDERLDKF-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.91
Rot. Bonds1

About prop-1-enylbenzene;thiourea

prop-1-enylbenzene;thiourea (PubChem CID 172856640) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is prop-1-enylbenzene;thiourea.

Molecular Properties

Compound Nameprop-1-enylbenzene;thiourea
PubChem CID172856640
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Nameprop-1-enylbenzene;thiourea
SMILESCC=Cc1ccccc1.NC(N)=S
InChIInChI=1S/C9H10.CH4N2S/c1-2-6-9-7-4-3-5-8-9;2-1(3)4/h2-8H,1H3;(H4,2,3,4)
InChIKeyYUGUTGRDERLDKF-UHFFFAOYSA-N
XLogP1.91
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze prop-1-enylbenzene;thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
CID 157355117
CID 157355117
2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711
buta-1,3-diene;bis(prop-1-enylbenzene)
CID 172716960
prop-1-enylbenzene;trimethylazanium;bromide
CID 69252782
propane-1,2-diol;prop-1-enylbenzene
CID 161072622
(E)-3-phenylprop-2-enal;[(E)-prop-1-enyl]benzene
CID 22568680
2,2-dimethylpropanoate;[(E)-prop-1-enyl]benzene;zinc
CID 122206574
2-deuterioethenylbenzene;prop-1-enylbenzene
CID 162227902
ethane;bis(1-phenylpropane-1,2-diol);bis([(E)-prop-1-enyl]benzene)
CID 157286318
but-1-en-2-ylbenzene;prop-1-enylbenzene
CID 173014652
2-chloroethenylbenzene;methanol
CID 159831331

Frequently Asked Questions

What is the IUPAC name of prop-1-enylbenzene;thiourea?
The IUPAC name of prop-1-enylbenzene;thiourea (CID 172856640) is prop-1-enylbenzene;thiourea.
What is the SMILES notation for prop-1-enylbenzene;thiourea?
The canonical SMILES for prop-1-enylbenzene;thiourea is CC=Cc1ccccc1.NC(N)=S.
What is the InChIKey of prop-1-enylbenzene;thiourea?
The InChIKey is YUGUTGRDERLDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.CH4N2S/c1-2-6-9-7-4-3-5-8-9;2-1(3)4/h2-8H,1H3;(H4,2,3,4).
What are the key properties of prop-1-enylbenzene;thiourea?
prop-1-enylbenzene;thiourea has a molecular weight of 194.30 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enylbenzene;thiourea is sourced from PubChem (CID 172856640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).