1,1,3-tri(propan-2-yl)thiourea

C10H22N2S — CID 14423924

IUPAC1,1,3-tri(propan-2-yl)thiourea
SMILESCC(C)NC(=S)N(C(C)C)C(C)C
InChIInChI=1S/C10H22N2S/c1-7(2)11-10(13)12(8(3)4)9(5)6/h7-9H,1-6H3,(H,11,13)
InChIKeyIHGMIERQHAMSFS-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.39
Rot. Bonds3

About 1,1,3-tri(propan-2-yl)thiourea

1,1,3-tri(propan-2-yl)thiourea (PubChem CID 14423924) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1,1,3-tri(propan-2-yl)thiourea.

Molecular Properties

Compound Name1,1,3-tri(propan-2-yl)thiourea
PubChem CID14423924
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1,1,3-tri(propan-2-yl)thiourea
SMILESCC(C)NC(=S)N(C(C)C)C(C)C
InChIInChI=1S/C10H22N2S/c1-7(2)11-10(13)12(8(3)4)9(5)6/h7-9H,1-6H3,(H,11,13)
InChIKeyIHGMIERQHAMSFS-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,3-tri(propan-2-yl)thiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,3-tri(propan-2-yl)thiourea?
The IUPAC name of 1,1,3-tri(propan-2-yl)thiourea (CID 14423924) is 1,1,3-tri(propan-2-yl)thiourea.
What is the SMILES notation for 1,1,3-tri(propan-2-yl)thiourea?
The canonical SMILES for 1,1,3-tri(propan-2-yl)thiourea is CC(C)NC(=S)N(C(C)C)C(C)C.
What is the InChIKey of 1,1,3-tri(propan-2-yl)thiourea?
The InChIKey is IHGMIERQHAMSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-7(2)11-10(13)12(8(3)4)9(5)6/h7-9H,1-6H3,(H,11,13).
What are the key properties of 1,1,3-tri(propan-2-yl)thiourea?
1,1,3-tri(propan-2-yl)thiourea has a molecular weight of 202.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-tri(propan-2-yl)thiourea is sourced from PubChem (CID 14423924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).