ethenylthiourea

C3H6N2S — CID 3036306

IUPACethenylthiourea
SMILESC=CNC(N)=S
InChIInChI=1S/C3H6N2S/c1-2-5-3(4)6/h2H,1H2,(H3,4,5,6)
InChIKeyPVTGORQEZYKPDK-UHFFFAOYSA-N
MW102.16 g/mol
LogP-0.04
Rot. Bonds1

About ethenylthiourea

ethenylthiourea (PubChem CID 3036306) has the molecular formula C3H6N2S and a molecular weight of 102.16 g/mol. Its IUPAC name is ethenylthiourea.

Molecular Properties

Compound Nameethenylthiourea
PubChem CID3036306
Molecular FormulaC3H6N2S
Molecular Weight102.16 g/mol
Exact Mass102.03
IUPAC Nameethenylthiourea
SMILESC=CNC(N)=S
InChIInChI=1S/C3H6N2S/c1-2-5-3(4)6/h2H,1H2,(H3,4,5,6)
InChIKeyPVTGORQEZYKPDK-UHFFFAOYSA-N
XLogP-0.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenylthiourea?
The IUPAC name of ethenylthiourea (CID 3036306) is ethenylthiourea.
What is the SMILES notation for ethenylthiourea?
The canonical SMILES for ethenylthiourea is C=CNC(N)=S.
What is the InChIKey of ethenylthiourea?
The InChIKey is PVTGORQEZYKPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S/c1-2-5-3(4)6/h2H,1H2,(H3,4,5,6).
What are the key properties of ethenylthiourea?
ethenylthiourea has a molecular weight of 102.16 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylthiourea is sourced from PubChem (CID 3036306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).