(N-prop-2-enylanilino)thiourea

C10H13N3S — CID 90784298

IUPAC(N-prop-2-enylanilino)thiourea
SMILESC=CCN(NC(N)=S)c1ccccc1
InChIInChI=1S/C10H13N3S/c1-2-8-13(12-10(11)14)9-6-4-3-5-7-9/h2-7H,1,8H2,(H3,11,12,14)
InChIKeyMXYPWYARPQOZSW-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.43
Rot. Bonds4

About (N-prop-2-enylanilino)thiourea

(N-prop-2-enylanilino)thiourea (PubChem CID 90784298) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is (N-prop-2-enylanilino)thiourea.

Molecular Properties

Compound Name(N-prop-2-enylanilino)thiourea
PubChem CID90784298
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name(N-prop-2-enylanilino)thiourea
SMILESC=CCN(NC(N)=S)c1ccccc1
InChIInChI=1S/C10H13N3S/c1-2-8-13(12-10(11)14)9-6-4-3-5-7-9/h2-7H,1,8H2,(H3,11,12,14)
InChIKeyMXYPWYARPQOZSW-UHFFFAOYSA-N
XLogP1.43
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (N-prop-2-enylanilino)thiourea?
The IUPAC name of (N-prop-2-enylanilino)thiourea (CID 90784298) is (N-prop-2-enylanilino)thiourea.
What is the SMILES notation for (N-prop-2-enylanilino)thiourea?
The canonical SMILES for (N-prop-2-enylanilino)thiourea is C=CCN(NC(N)=S)c1ccccc1.
What is the InChIKey of (N-prop-2-enylanilino)thiourea?
The InChIKey is MXYPWYARPQOZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-2-8-13(12-10(11)14)9-6-4-3-5-7-9/h2-7H,1,8H2,(H3,11,12,14).
What are the key properties of (N-prop-2-enylanilino)thiourea?
(N-prop-2-enylanilino)thiourea has a molecular weight of 207.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N-prop-2-enylanilino)thiourea is sourced from PubChem (CID 90784298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).