2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane

C6H14N2S6 — CID 158207882

IUPAC2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane
SMILESCSSC.S=C(S)NCCNC(=S)S
InChIInChI=1S/C4H8N2S4.C2H6S2/c7-3(8)5-1-2-6-4(9)10;1-3-4-2/h1-2H2,(H2,5,7,8)(H2,6,9,10);1-2H3
InChIKeyGBSGQIBFFUXWTB-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.22
Rot. Bonds4

About 2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane

2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane (PubChem CID 158207882) has the molecular formula C6H14N2S6 and a molecular weight of 306.59 g/mol. Its IUPAC name is 2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane.

Molecular Properties

Compound Name2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane
PubChem CID158207882
Molecular FormulaC6H14N2S6
Molecular Weight306.59 g/mol
Exact Mass305.95
IUPAC Name2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane
SMILESCSSC.S=C(S)NCCNC(=S)S
InChIInChI=1S/C4H8N2S4.C2H6S2/c7-3(8)5-1-2-6-4(9)10;1-3-4-2/h1-2H2,(H2,5,7,8)(H2,6,9,10);1-2H3
InChIKeyGBSGQIBFFUXWTB-UHFFFAOYSA-N
XLogP2.22
TPSA24.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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 2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane?
The IUPAC name of 2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane (CID 158207882) is 2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane.
What is the SMILES notation for 2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane?
The canonical SMILES for 2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane is CSSC.S=C(S)NCCNC(=S)S.
What is the InChIKey of 2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane?
The InChIKey is GBSGQIBFFUXWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S4.C2H6S2/c7-3(8)5-1-2-6-4(9)10;1-3-4-2/h1-2H2,(H2,5,7,8)(H2,6,9,10);1-2H3.
What are the key properties of 2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane?
2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane has a molecular weight of 306.59 g/mol, XLogP of 2.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane is sourced from PubChem (CID 158207882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).