1,1,3-tris(prop-2-enyl)thiourea

C10H16N2S — CID 3038280

IUPAC1,1,3-tris(prop-2-enyl)thiourea
SMILESC=CCNC(=S)N(CC=C)CC=C
InChIInChI=1S/C10H16N2S/c1-4-7-11-10(13)12(8-5-2)9-6-3/h4-6H,1-3,7-9H2,(H,11,13)
InChIKeyZHEVXOJWYZGAHS-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.72
Rot. Bonds6

About 1,1,3-tris(prop-2-enyl)thiourea

1,1,3-tris(prop-2-enyl)thiourea (PubChem CID 3038280) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 1,1,3-tris(prop-2-enyl)thiourea.

Molecular Properties

Compound Name1,1,3-tris(prop-2-enyl)thiourea
PubChem CID3038280
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name1,1,3-tris(prop-2-enyl)thiourea
SMILESC=CCNC(=S)N(CC=C)CC=C
InChIInChI=1S/C10H16N2S/c1-4-7-11-10(13)12(8-5-2)9-6-3/h4-6H,1-3,7-9H2,(H,11,13)
InChIKeyZHEVXOJWYZGAHS-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-tris(prop-2-enyl)thiourea?
The IUPAC name of 1,1,3-tris(prop-2-enyl)thiourea (CID 3038280) is 1,1,3-tris(prop-2-enyl)thiourea.
What is the SMILES notation for 1,1,3-tris(prop-2-enyl)thiourea?
The canonical SMILES for 1,1,3-tris(prop-2-enyl)thiourea is C=CCNC(=S)N(CC=C)CC=C.
What is the InChIKey of 1,1,3-tris(prop-2-enyl)thiourea?
The InChIKey is ZHEVXOJWYZGAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-4-7-11-10(13)12(8-5-2)9-6-3/h4-6H,1-3,7-9H2,(H,11,13).
What are the key properties of 1,1,3-tris(prop-2-enyl)thiourea?
1,1,3-tris(prop-2-enyl)thiourea has a molecular weight of 196.32 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-tris(prop-2-enyl)thiourea is sourced from PubChem (CID 3038280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).