1,1-dimethyl-3-(2-methylprop-2-enyl)thiourea

C7H14N2S — CID 43384744

IUPAC1,1-dimethyl-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)N(C)C
InChIInChI=1S/C7H14N2S/c1-6(2)5-8-7(10)9(3)4/h1,5H2,2-4H3,(H,8,10)
InChIKeyBYFWVOAWLDWDSK-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.00
Rot. Bonds2

About 1,1-dimethyl-3-(2-methylprop-2-enyl)thiourea

1,1-dimethyl-3-(2-methylprop-2-enyl)thiourea (PubChem CID 43384744) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2-methylprop-2-enyl)thiourea.

Molecular Properties

Compound Name1,1-dimethyl-3-(2-methylprop-2-enyl)thiourea
PubChem CID43384744
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name1,1-dimethyl-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)N(C)C
InChIInChI=1S/C7H14N2S/c1-6(2)5-8-7(10)9(3)4/h1,5H2,2-4H3,(H,8,10)
InChIKeyBYFWVOAWLDWDSK-UHFFFAOYSA-N
XLogP1.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.00
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'}

Analyze 1,1-dimethyl-3-(2-methylprop-2-enyl)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-dimethyl-3-(2-methylprop-2-enyl)thiourea?
The IUPAC name of 1,1-dimethyl-3-(2-methylprop-2-enyl)thiourea (CID 43384744) is 1,1-dimethyl-3-(2-methylprop-2-enyl)thiourea.
What is the SMILES notation for 1,1-dimethyl-3-(2-methylprop-2-enyl)thiourea?
The canonical SMILES for 1,1-dimethyl-3-(2-methylprop-2-enyl)thiourea is C=C(C)CNC(=S)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-(2-methylprop-2-enyl)thiourea?
The InChIKey is BYFWVOAWLDWDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-6(2)5-8-7(10)9(3)4/h1,5H2,2-4H3,(H,8,10).
What are the key properties of 1,1-dimethyl-3-(2-methylprop-2-enyl)thiourea?
1,1-dimethyl-3-(2-methylprop-2-enyl)thiourea has a molecular weight of 158.27 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2-methylprop-2-enyl)thiourea is sourced from PubChem (CID 43384744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).