methyl N-(disulfanyl)-N-methylcarbamate

C3H7NO2S2 — CID 90808667

IUPACmethyl N-(disulfanyl)-N-methylcarbamate
SMILESCOC(=O)N(C)SS
InChIInChI=1S/C3H7NO2S2/c1-4(8-7)3(5)6-2/h7H,1-2H3
InChIKeyDWUJXHBPQSMQGJ-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.18
Rot. Bonds1

About methyl N-(disulfanyl)-N-methylcarbamate

methyl N-(disulfanyl)-N-methylcarbamate (PubChem CID 90808667) has the molecular formula C3H7NO2S2 and a molecular weight of 153.23 g/mol. Its IUPAC name is methyl N-(disulfanyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(disulfanyl)-N-methylcarbamate
PubChem CID90808667
Molecular FormulaC3H7NO2S2
Molecular Weight153.23 g/mol
Exact Mass152.99
IUPAC Namemethyl N-(disulfanyl)-N-methylcarbamate
SMILESCOC(=O)N(C)SS
InChIInChI=1S/C3H7NO2S2/c1-4(8-7)3(5)6-2/h7H,1-2H3
InChIKeyDWUJXHBPQSMQGJ-UHFFFAOYSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl N-methyl-N-phosphorosocarbamate
CID 174678837
diiodovanadium;methyl N,N-dimethylcarbamate
CID 159062292
methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 79387762
methyl N-methyl-N-trimethoxysilylcarbamate
CID 87336314
methyl N-(chloromethyl)-N-methylcarbamate
CID 12631503
methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300
methyl N-methyl-N-sulfamoylcarbamate
CID 88598186
methoxy-[methyl(sulfinato)amino]-oxomethane
CID 57041813
methyl N-hexyl-N-methylcarbamate
CID 14923771
methoxysulfanyl(methyl)carbamic acid
CID 56630167
methyl N,N-ditert-butylcarbamate
CID 12567954
dimethyl (Z)-2,3-bis(sulfanyl)but-2-enedioate
CID 6914047

Frequently Asked Questions

What is the IUPAC name of methyl N-(disulfanyl)-N-methylcarbamate?
The IUPAC name of methyl N-(disulfanyl)-N-methylcarbamate (CID 90808667) is methyl N-(disulfanyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(disulfanyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(disulfanyl)-N-methylcarbamate is COC(=O)N(C)SS.
What is the InChIKey of methyl N-(disulfanyl)-N-methylcarbamate?
The InChIKey is DWUJXHBPQSMQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S2/c1-4(8-7)3(5)6-2/h7H,1-2H3.
What are the key properties of methyl N-(disulfanyl)-N-methylcarbamate?
methyl N-(disulfanyl)-N-methylcarbamate has a molecular weight of 153.23 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(disulfanyl)-N-methylcarbamate is sourced from PubChem (CID 90808667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).