1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea

C12H26N2S — CID 115629343

IUPAC1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea
SMILESCC(C)CNC(=S)NCC(C)C(C)(C)C
InChIInChI=1S/C12H26N2S/c1-9(2)7-13-11(15)14-8-10(3)12(4,5)6/h9-10H,7-8H2,1-6H3,(H2,13,14,15)
InChIKeyLURIHTUNGCKSKP-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.79
Rot. Bonds4

About 1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea

1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea (PubChem CID 115629343) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea
PubChem CID115629343
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea
SMILESCC(C)CNC(=S)NCC(C)C(C)(C)C
InChIInChI=1S/C12H26N2S/c1-9(2)7-13-11(15)14-8-10(3)12(4,5)6/h9-10H,7-8H2,1-6H3,(H2,13,14,15)
InChIKeyLURIHTUNGCKSKP-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea
CID 115662944
1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 5061824
N,2,2-trimethyl-3-(2-methylpropylcarbamothioylamino)propanamide
CID 103822773
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
1-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropyl)thiourea
CID 103520307
1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea
CID 115606395
3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide
CID 83144311
N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide
CID 115571220
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356
1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea
CID 115618766
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
CID 115629659

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea?
The IUPAC name of 1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea (CID 115629343) is 1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea.
What is the SMILES notation for 1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea?
The canonical SMILES for 1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea is CC(C)CNC(=S)NCC(C)C(C)(C)C.
What is the InChIKey of 1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea?
The InChIKey is LURIHTUNGCKSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-9(2)7-13-11(15)14-8-10(3)12(4,5)6/h9-10H,7-8H2,1-6H3,(H2,13,14,15).
What are the key properties of 1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea?
1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea has a molecular weight of 230.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea is sourced from PubChem (CID 115629343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).