8-(dithiocarboxyamino)octylcarbamodithioic acid

C10H20N2S4 — CID 158913905

IUPAC8-(dithiocarboxyamino)octylcarbamodithioic acid
SMILESS=C(S)NCCCCCCCCNC(=S)S
InChIInChI=1S/C10H20N2S4/c13-9(14)11-7-5-3-1-2-4-6-8-12-10(15)16/h1-8H2,(H2,11,13,14)(H2,12,15,16)
InChIKeyJDGJDRJNSSKZIM-UHFFFAOYSA-N
MW296.55 g/mol
LogP2.94
Rot. Bonds9

About 8-(dithiocarboxyamino)octylcarbamodithioic acid

8-(dithiocarboxyamino)octylcarbamodithioic acid (PubChem CID 158913905) has the molecular formula C10H20N2S4 and a molecular weight of 296.55 g/mol. Its IUPAC name is 8-(dithiocarboxyamino)octylcarbamodithioic acid.

Molecular Properties

Compound Name8-(dithiocarboxyamino)octylcarbamodithioic acid
PubChem CID158913905
Molecular FormulaC10H20N2S4
Molecular Weight296.55 g/mol
Exact Mass296.05
IUPAC Name8-(dithiocarboxyamino)octylcarbamodithioic acid
SMILESS=C(S)NCCCCCCCCNC(=S)S
InChIInChI=1S/C10H20N2S4/c13-9(14)11-7-5-3-1-2-4-6-8-12-10(15)16/h1-8H2,(H2,11,13,14)(H2,12,15,16)
InChIKeyJDGJDRJNSSKZIM-UHFFFAOYSA-N
XLogP2.94
TPSA24.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.55
LogP ≤ 52.94
H-Bond Donors ≤ 54
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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Related Compounds

13-sulfanyltridecylcarbamodithioic acid
CID 87691149
34-hydroxytetratriacontylcarbamodithioic acid
CID 87691023
38-hydroxyoctatriacontylcarbamodithioic acid
CID 87690726
15-sulfanylpentadecylcarbamodithioic acid
CID 87691390
17-hydroxyheptadecylcarbamodithioic acid
CID 87691134
22-aminodocosylcarbamodithioic acid
CID 87691165
36-(dithiocarboxyamino)hexatriacontanedithioic acid
CID 87684858
27-iodoheptacosylcarbamodithioic acid
CID 87691248
28-iodooctacosylcarbamodithioic acid
CID 87691231
23-chlorotricosylcarbamodithioic acid
CID 87690774
19-bromononadecylcarbamodithioic acid
CID 87691084
23-iodotricosylcarbamodithioic acid
CID 87691353

Frequently Asked Questions

What is the IUPAC name of 8-(dithiocarboxyamino)octylcarbamodithioic acid?
The IUPAC name of 8-(dithiocarboxyamino)octylcarbamodithioic acid (CID 158913905) is 8-(dithiocarboxyamino)octylcarbamodithioic acid.
What is the SMILES notation for 8-(dithiocarboxyamino)octylcarbamodithioic acid?
The canonical SMILES for 8-(dithiocarboxyamino)octylcarbamodithioic acid is S=C(S)NCCCCCCCCNC(=S)S.
What is the InChIKey of 8-(dithiocarboxyamino)octylcarbamodithioic acid?
The InChIKey is JDGJDRJNSSKZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S4/c13-9(14)11-7-5-3-1-2-4-6-8-12-10(15)16/h1-8H2,(H2,11,13,14)(H2,12,15,16).
What are the key properties of 8-(dithiocarboxyamino)octylcarbamodithioic acid?
8-(dithiocarboxyamino)octylcarbamodithioic acid has a molecular weight of 296.55 g/mol, XLogP of 2.94, 9 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dithiocarboxyamino)octylcarbamodithioic acid is sourced from PubChem (CID 158913905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).