(2-butylphenyl)sulfanylurea

C11H16N2OS — CID 21150914

IUPAC(2-butylphenyl)sulfanylurea
SMILESCCCCc1ccccc1SNC(N)=O
InChIInChI=1S/C11H16N2OS/c1-2-3-6-9-7-4-5-8-10(9)15-13-11(12)14/h4-5,7-8H,2-3,6H2,1H3,(H3,12,13,14)
InChIKeyRPDYJQNBBSBEQH-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.70
Rot. Bonds5

About (2-butylphenyl)sulfanylurea

(2-butylphenyl)sulfanylurea (PubChem CID 21150914) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (2-butylphenyl)sulfanylurea.

Molecular Properties

Compound Name(2-butylphenyl)sulfanylurea
PubChem CID21150914
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(2-butylphenyl)sulfanylurea
SMILESCCCCc1ccccc1SNC(N)=O
InChIInChI=1S/C11H16N2OS/c1-2-3-6-9-7-4-5-8-10(9)15-13-11(12)14/h4-5,7-8H,2-3,6H2,1H3,(H3,12,13,14)
InChIKeyRPDYJQNBBSBEQH-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-butylphenyl)sulfanylurea 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

(2-butylphenyl) carbamodithioate;molybdenum
CID 159051812
2-butylbenzamide
CID 15468173
1-butyl-2-(disulfanyl)benzene
CID 88545056
1-butyl-2-propan-2-ylsulfanylbenzene
CID 142056517
S-methyl 2-(2-butylphenyl)ethanethioate
CID 169145203
methanol;2-oxo-2-(2-pentylphenyl)sulfanylacetic acid
CID 174984210
methyl 2-(2-butylphenyl)acetate
CID 141125258
zinc;1,2-di(tetradecyl)benzene;dicarbamothioate
CID 173210001
CID 159940559
CID 159940559
nickel;1-octyl-2-(2-octylphenyl)sulfanylbenzene
CID 87071455
[2,3-di(nonyl)phenyl]urea
CID 175243703
2-octylbenzamide
CID 11148995

Frequently Asked Questions

What is the IUPAC name of (2-butylphenyl)sulfanylurea?
The IUPAC name of (2-butylphenyl)sulfanylurea (CID 21150914) is (2-butylphenyl)sulfanylurea.
What is the SMILES notation for (2-butylphenyl)sulfanylurea?
The canonical SMILES for (2-butylphenyl)sulfanylurea is CCCCc1ccccc1SNC(N)=O.
What is the InChIKey of (2-butylphenyl)sulfanylurea?
The InChIKey is RPDYJQNBBSBEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-3-6-9-7-4-5-8-10(9)15-13-11(12)14/h4-5,7-8H,2-3,6H2,1H3,(H3,12,13,14).
What are the key properties of (2-butylphenyl)sulfanylurea?
(2-butylphenyl)sulfanylurea has a molecular weight of 224.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylphenyl)sulfanylurea is sourced from PubChem (CID 21150914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).