hydrazinecarboxylic acid;(methyldisulfanyl)methane

C3H10N2O2S2 — CID 174381974

IUPAChydrazinecarboxylic acid;(methyldisulfanyl)methane
SMILESCSSC.NNC(=O)O
InChIInChI=1S/C2H6S2.CH4N2O2/c1-3-4-2;2-3-1(4)5/h1-2H3;3H,2H2,(H,4,5)
InChIKeyJJOQMFRSISRVOO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.76
Rot. Bonds1

About hydrazinecarboxylic acid;(methyldisulfanyl)methane

hydrazinecarboxylic acid;(methyldisulfanyl)methane (PubChem CID 174381974) has the molecular formula C3H10N2O2S2 and a molecular weight of 170.26 g/mol. Its IUPAC name is hydrazinecarboxylic acid;(methyldisulfanyl)methane.

Molecular Properties

Compound Namehydrazinecarboxylic acid;(methyldisulfanyl)methane
PubChem CID174381974
Molecular FormulaC3H10N2O2S2
Molecular Weight170.26 g/mol
Exact Mass170.02
IUPAC Namehydrazinecarboxylic acid;(methyldisulfanyl)methane
SMILESCSSC.NNC(=O)O
InChIInChI=1S/C2H6S2.CH4N2O2/c1-3-4-2;2-3-1(4)5/h1-2H3;3H,2H2,(H,4,5)
InChIKeyJJOQMFRSISRVOO-UHFFFAOYSA-N
XLogP0.76
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyldithio carbazate
CID 91065869
(Methylsulfanylamino)carbamic acid
CID 151747670
Hydrazinecarboxylic acid;(methyldisulfanyl)methane;nickel
CID 158861576
Hydrazinecarboxylic acid;(methyldisulfanyl)methane;neodymium
CID 159712573
Disulfanylmethane;hydrazinecarboxylic acid
CID 174381975
Hydrazinecarboxylic acid;(methyldisulfanyl)methane;stibane
CID 174393115
Sodium;hydrazinecarboxylic acid;hydride;(methyldisulfanyl)methane
CID 174394473
Sodium;disulfanylmethane;hydrazinecarboxylic acid;hydride
CID 174394474
Hydrazinecarboxylic acid;(methyldisulfanyl)methane;ZINC
CID 174406776
Disulfanylmethane;hydrazinecarboxylic acid;ZINC
CID 174406777
Hydrazinecarboxylic acid;(methyldisulfanyl)methane;selane
CID 174438476
Hydrazinecarboxylic acid;methylsulfanylmethane;nickel
CID 174573115

Frequently Asked Questions

What is the IUPAC name of hydrazinecarboxylic acid;(methyldisulfanyl)methane?
The IUPAC name of hydrazinecarboxylic acid;(methyldisulfanyl)methane (CID 174381974) is hydrazinecarboxylic acid;(methyldisulfanyl)methane.
What is the SMILES notation for hydrazinecarboxylic acid;(methyldisulfanyl)methane?
The canonical SMILES for hydrazinecarboxylic acid;(methyldisulfanyl)methane is CSSC.NNC(=O)O.
What is the InChIKey of hydrazinecarboxylic acid;(methyldisulfanyl)methane?
The InChIKey is JJOQMFRSISRVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S2.CH4N2O2/c1-3-4-2;2-3-1(4)5/h1-2H3;3H,2H2,(H,4,5).
What are the key properties of hydrazinecarboxylic acid;(methyldisulfanyl)methane?
hydrazinecarboxylic acid;(methyldisulfanyl)methane has a molecular weight of 170.26 g/mol, XLogP of 0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinecarboxylic acid;(methyldisulfanyl)methane is sourced from PubChem (CID 174381974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).