4-(2-hydroxyphenyl)butyl carbamodithioate

C11H15NOS2 — CID 174875461

IUPAC4-(2-hydroxyphenyl)butyl carbamodithioate
SMILESNC(=S)SCCCCc1ccccc1O
InChIInChI=1S/C11H15NOS2/c12-11(14)15-8-4-3-6-9-5-1-2-7-10(9)13/h1-2,5,7,13H,3-4,6,8H2,(H2,12,14)
InChIKeyFOGHTJFRNYIAKK-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.69
Rot. Bonds5

About 4-(2-hydroxyphenyl)butyl carbamodithioate

4-(2-hydroxyphenyl)butyl carbamodithioate (PubChem CID 174875461) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)butyl carbamodithioate.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)butyl carbamodithioate
PubChem CID174875461
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC Name4-(2-hydroxyphenyl)butyl carbamodithioate
SMILESNC(=S)SCCCCc1ccccc1O
InChIInChI=1S/C11H15NOS2/c12-11(14)15-8-4-3-6-9-5-1-2-7-10(9)13/h1-2,5,7,13H,3-4,6,8H2,(H2,12,14)
InChIKeyFOGHTJFRNYIAKK-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-hydroxyphenyl)butyl carbamodithioate 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-decylphenol;hydrazine
CID 159983030
2-dodecylphenol
CID 160834917
2-(12-phenyldodecyl)phenol
CID 70505621
CID 175749710
CID 175749710
2-(3-iodopropyl)phenol
CID 72722847
CID 69025009
CID 69025009
2-octylphenol;tungsten
CID 157237523
CID 158595082
CID 158595082
2-(3-benzylsulfanylpropyl)phenol
CID 15322693
ethene;2-nonylphenol
CID 66616289
lithium;2-dodecylphenol;hydride
CID 174657819
disodium;hydride;2-nonylphenol
CID 175531956

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)butyl carbamodithioate?
The IUPAC name of 4-(2-hydroxyphenyl)butyl carbamodithioate (CID 174875461) is 4-(2-hydroxyphenyl)butyl carbamodithioate.
What is the SMILES notation for 4-(2-hydroxyphenyl)butyl carbamodithioate?
The canonical SMILES for 4-(2-hydroxyphenyl)butyl carbamodithioate is NC(=S)SCCCCc1ccccc1O.
What is the InChIKey of 4-(2-hydroxyphenyl)butyl carbamodithioate?
The InChIKey is FOGHTJFRNYIAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS2/c12-11(14)15-8-4-3-6-9-5-1-2-7-10(9)13/h1-2,5,7,13H,3-4,6,8H2,(H2,12,14).
What are the key properties of 4-(2-hydroxyphenyl)butyl carbamodithioate?
4-(2-hydroxyphenyl)butyl carbamodithioate has a molecular weight of 241.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)butyl carbamodithioate is sourced from PubChem (CID 174875461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).