(methyldisulfanyl) N-aminocarbamate

C2H6N2O2S2 — CID 91065869

IUPAC(methyldisulfanyl) N-aminocarbamate
SMILESCSSOC(=O)NN
InChIInChI=1S/C2H6N2O2S2/c1-7-8-6-2(5)4-3/h3H2,1H3,(H,4,5)
InChIKeyAXAUZRKGCLVPFQ-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.51
Rot. Bonds2

About (methyldisulfanyl) N-aminocarbamate

(methyldisulfanyl) N-aminocarbamate (PubChem CID 91065869) has the molecular formula C2H6N2O2S2 and a molecular weight of 154.22 g/mol. Its IUPAC name is (methyldisulfanyl) N-aminocarbamate.

Molecular Properties

Compound Name(methyldisulfanyl) N-aminocarbamate
PubChem CID91065869
Molecular FormulaC2H6N2O2S2
Molecular Weight154.22 g/mol
Exact Mass153.99
IUPAC Name(methyldisulfanyl) N-aminocarbamate
SMILESCSSOC(=O)NN
InChIInChI=1S/C2H6N2O2S2/c1-7-8-6-2(5)4-3/h3H2,1H3,(H,4,5)
InChIKeyAXAUZRKGCLVPFQ-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Methylthiocarbazate
CID 88141202
disulfanylmethyl N-aminocarbamate
CID 88693012
(Methylsulfanylamino)carbamic acid
CID 151747670
Hydrazinecarboxylic acid;(methyldisulfanyl)methane;nickel
CID 158861576
Hydrazinecarboxylic acid;(methyldisulfanyl)methane;neodymium
CID 159712573
Hydrazinecarboxylic acid;(methyldisulfanyl)methane
CID 174381974
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

Frequently Asked Questions

What is the IUPAC name of (methyldisulfanyl) N-aminocarbamate?
The IUPAC name of (methyldisulfanyl) N-aminocarbamate (CID 91065869) is (methyldisulfanyl) N-aminocarbamate.
What is the SMILES notation for (methyldisulfanyl) N-aminocarbamate?
The canonical SMILES for (methyldisulfanyl) N-aminocarbamate is CSSOC(=O)NN.
What is the InChIKey of (methyldisulfanyl) N-aminocarbamate?
The InChIKey is AXAUZRKGCLVPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2S2/c1-7-8-6-2(5)4-3/h3H2,1H3,(H,4,5).
What are the key properties of (methyldisulfanyl) N-aminocarbamate?
(methyldisulfanyl) N-aminocarbamate has a molecular weight of 154.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (methyldisulfanyl) N-aminocarbamate is sourced from PubChem (CID 91065869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).