34-hydroxytetratriacontylcarbamodithioic acid

C35H71NOS2 — CID 87691023

IUPAC34-hydroxytetratriacontylcarbamodithioic acid
SMILESOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=S)S
InChIInChI=1S/C35H71NOS2/c37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-35(38)39/h37H,1-34H2,(H2,36,38,39)
InChIKeyUKTWPCVSJOVNQN-UHFFFAOYSA-N
MW586.09 g/mol
LogP12.27
Rot. Bonds34

About 34-hydroxytetratriacontylcarbamodithioic acid

34-hydroxytetratriacontylcarbamodithioic acid (PubChem CID 87691023) has the molecular formula C35H71NOS2 and a molecular weight of 586.09 g/mol. Its IUPAC name is 34-hydroxytetratriacontylcarbamodithioic acid.

Molecular Properties

Compound Name34-hydroxytetratriacontylcarbamodithioic acid
PubChem CID87691023
Molecular FormulaC35H71NOS2
Molecular Weight586.09 g/mol
Exact Mass585.50
IUPAC Name34-hydroxytetratriacontylcarbamodithioic acid
SMILESOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=S)S
InChIInChI=1S/C35H71NOS2/c37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-35(38)39/h37H,1-34H2,(H2,36,38,39)
InChIKeyUKTWPCVSJOVNQN-UHFFFAOYSA-N
XLogP12.27
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.09
LogP ≤ 512.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 34-hydroxytetratriacontylcarbamodithioic acid 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

38-hydroxyoctatriacontylcarbamodithioic acid
CID 87690726
17-hydroxyheptadecylcarbamodithioic acid
CID 87691134
8-(dithiocarboxyamino)octylcarbamodithioic acid
CID 158913905
13-sulfanyltridecylcarbamodithioic acid
CID 87691149
15-sulfanylpentadecylcarbamodithioic acid
CID 87691390
22-aminodocosylcarbamodithioic acid
CID 87691165
28-iodooctacosylcarbamodithioic acid
CID 87691231
23-chlorotricosylcarbamodithioic acid
CID 87690774
36-(dithiocarboxyamino)hexatriacontanedithioic acid
CID 87684858
27-iodoheptacosylcarbamodithioic acid
CID 87691248
19-bromononadecylcarbamodithioic acid
CID 87691084
23-iodotricosylcarbamodithioic acid
CID 87691353

Frequently Asked Questions

What is the IUPAC name of 34-hydroxytetratriacontylcarbamodithioic acid?
The IUPAC name of 34-hydroxytetratriacontylcarbamodithioic acid (CID 87691023) is 34-hydroxytetratriacontylcarbamodithioic acid.
What is the SMILES notation for 34-hydroxytetratriacontylcarbamodithioic acid?
The canonical SMILES for 34-hydroxytetratriacontylcarbamodithioic acid is OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=S)S.
What is the InChIKey of 34-hydroxytetratriacontylcarbamodithioic acid?
The InChIKey is UKTWPCVSJOVNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H71NOS2/c37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-35(38)39/h37H,1-34H2,(H2,36,38,39).
What are the key properties of 34-hydroxytetratriacontylcarbamodithioic acid?
34-hydroxytetratriacontylcarbamodithioic acid has a molecular weight of 586.09 g/mol, XLogP of 12.27, 34 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 34-hydroxytetratriacontylcarbamodithioic acid is sourced from PubChem (CID 87691023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).