23-aminotricosylcarbamodithioic acid

C24H50N2S2 — CID 87691154

IUPAC23-aminotricosylcarbamodithioic acid
SMILESNCCCCCCCCCCCCCCCCCCCCCCCNC(=S)S
InChIInChI=1S/C24H50N2S2/c25-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-26-24(27)28/h1-23,25H2,(H2,26,27,28)
InChIKeyGTGQVEZEKPZENX-UHFFFAOYSA-N
MW430.81 g/mol
LogP7.94
Rot. Bonds23

About 23-aminotricosylcarbamodithioic acid

23-aminotricosylcarbamodithioic acid (PubChem CID 87691154) has the molecular formula C24H50N2S2 and a molecular weight of 430.81 g/mol. Its IUPAC name is 23-aminotricosylcarbamodithioic acid.

Molecular Properties

Compound Name23-aminotricosylcarbamodithioic acid
PubChem CID87691154
Molecular FormulaC24H50N2S2
Molecular Weight430.81 g/mol
Exact Mass430.34
IUPAC Name23-aminotricosylcarbamodithioic acid
SMILESNCCCCCCCCCCCCCCCCCCCCCCCNC(=S)S
InChIInChI=1S/C24H50N2S2/c25-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-26-24(27)28/h1-23,25H2,(H2,26,27,28)
InChIKeyGTGQVEZEKPZENX-UHFFFAOYSA-N
XLogP7.94
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.81
LogP ≤ 57.94
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'}

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Frequently Asked Questions

What is the IUPAC name of 23-aminotricosylcarbamodithioic acid?
The IUPAC name of 23-aminotricosylcarbamodithioic acid (CID 87691154) is 23-aminotricosylcarbamodithioic acid.
What is the SMILES notation for 23-aminotricosylcarbamodithioic acid?
The canonical SMILES for 23-aminotricosylcarbamodithioic acid is NCCCCCCCCCCCCCCCCCCCCCCCNC(=S)S.
What is the InChIKey of 23-aminotricosylcarbamodithioic acid?
The InChIKey is GTGQVEZEKPZENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2S2/c25-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-26-24(27)28/h1-23,25H2,(H2,26,27,28).
What are the key properties of 23-aminotricosylcarbamodithioic acid?
23-aminotricosylcarbamodithioic acid has a molecular weight of 430.81 g/mol, XLogP of 7.94, 23 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23-aminotricosylcarbamodithioic acid is sourced from PubChem (CID 87691154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).