2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol

C5H14N2S3 — CID 126655685

IUPAC2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol
SMILESCSSCCNNCCS
InChIInChI=1S/C5H14N2S3/c1-9-10-5-3-7-6-2-4-8/h6-8H,2-5H2,1H3
InChIKeyRYRKLFIMYXOVHX-UHFFFAOYSA-N
MW198.38 g/mol
LogP1.02
Rot. Bonds7

About 2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol

2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol (PubChem CID 126655685) has the molecular formula C5H14N2S3 and a molecular weight of 198.38 g/mol. Its IUPAC name is 2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol.

Molecular Properties

Compound Name2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol
PubChem CID126655685
Molecular FormulaC5H14N2S3
Molecular Weight198.38 g/mol
Exact Mass198.03
IUPAC Name2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol
SMILESCSSCCNNCCS
InChIInChI=1S/C5H14N2S3/c1-9-10-5-3-7-6-2-4-8/h6-8H,2-5H2,1H3
InChIKeyRYRKLFIMYXOVHX-UHFFFAOYSA-N
XLogP1.02
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Hydrazinylpropane-1-thiol
CID 12731764
2-Hydrazinylethanethiol
CID 12457063
2-(2-Hydrazinylethyldisulfanyl)ethanamine
CID 54043672
3-Hydrazinylpropane-1-thiol
CID 54156855
2-(2-Ethylhydrazinyl)ethanethial
CID 88002650
2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine
CID 88966067
(2R)-2-hydrazinylpropane-1-thiol
CID 89010992
1-Ethyl-2-(2-methylsulfanylethyl)hydrazine
CID 89111940
(2-Ethylhydrazinyl)methanethiol
CID 89211258
2-(2-Ethylhydrazinyl)ethanethiol
CID 89211261
(2R)-1-hydrazinylpropane-2-thiol
CID 89412211
[2-(Ethylsulfanyl)ethyl]hydrazine
CID 116094448

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol?
The IUPAC name of 2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol (CID 126655685) is 2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol.
What is the SMILES notation for 2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol?
The canonical SMILES for 2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol is CSSCCNNCCS.
What is the InChIKey of 2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol?
The InChIKey is RYRKLFIMYXOVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2S3/c1-9-10-5-3-7-6-2-4-8/h6-8H,2-5H2,1H3.
What are the key properties of 2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol?
2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol has a molecular weight of 198.38 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methyldisulfanyl)ethyl]hydrazinyl]ethanethiol is sourced from PubChem (CID 126655685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).