1-butyl-1-ethyl-3-(2-methylpropyl)thiourea

C11H24N2S — CID 115570265

IUPAC1-butyl-1-ethyl-3-(2-methylpropyl)thiourea
SMILESCCCCN(CC)C(=S)NCC(C)C
InChIInChI=1S/C11H24N2S/c1-5-7-8-13(6-2)11(14)12-9-10(3)4/h10H,5-9H2,1-4H3,(H,12,14)
InChIKeyOLJJOGNURDNBAE-UHFFFAOYSA-N
MW216.39 g/mol
LogP2.64
Rot. Bonds6

About 1-butyl-1-ethyl-3-(2-methylpropyl)thiourea

1-butyl-1-ethyl-3-(2-methylpropyl)thiourea (PubChem CID 115570265) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 1-butyl-1-ethyl-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-butyl-1-ethyl-3-(2-methylpropyl)thiourea
PubChem CID115570265
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name1-butyl-1-ethyl-3-(2-methylpropyl)thiourea
SMILESCCCCN(CC)C(=S)NCC(C)C
InChIInChI=1S/C11H24N2S/c1-5-7-8-13(6-2)11(14)12-9-10(3)4/h10H,5-9H2,1-4H3,(H,12,14)
InChIKeyOLJJOGNURDNBAE-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,3-tris(2-methylpropyl)thiourea
CID 19653244
1-(2-cyanopropyl)-1-ethyl-3-(2-methylpropyl)thiourea
CID 115594227
1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea
CID 115570268
1-ethyl-1,3-bis(3-methylbutyl)thiourea
CID 176585048
1-butyl-3-cyclopropyl-1-ethylthiourea
CID 115570266
1,1,3-trihexylthiourea
CID 19875506
2-[butyl(ethyl)amino]-N-(2-methylpropyl)acetamide
CID 86910806
1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea
CID 116508678
1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea
CID 115580733
N,N-dibutylpropanethioamide
CID 45118577
3-amino-1,1-dibutylthiourea;hydrochloride
CID 131954492
5-amino-N-butyl-N-ethylhexanamide
CID 82848623

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-ethyl-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-butyl-1-ethyl-3-(2-methylpropyl)thiourea (CID 115570265) is 1-butyl-1-ethyl-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-butyl-1-ethyl-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-butyl-1-ethyl-3-(2-methylpropyl)thiourea is CCCCN(CC)C(=S)NCC(C)C.
What is the InChIKey of 1-butyl-1-ethyl-3-(2-methylpropyl)thiourea?
The InChIKey is OLJJOGNURDNBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-5-7-8-13(6-2)11(14)12-9-10(3)4/h10H,5-9H2,1-4H3,(H,12,14).
What are the key properties of 1-butyl-1-ethyl-3-(2-methylpropyl)thiourea?
1-butyl-1-ethyl-3-(2-methylpropyl)thiourea has a molecular weight of 216.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-ethyl-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 115570265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).