methoxysulfanyl(methyl)carbamic acid

C3H7NO3S — CID 56630167

IUPACmethoxysulfanyl(methyl)carbamic acid
SMILESCOSN(C)C(=O)O
InChIInChI=1S/C3H7NO3S/c1-4(3(5)6)8-7-2/h1-2H3,(H,5,6)
InChIKeyNSLCZYPCWSTWQL-UHFFFAOYSA-N
MW137.16 g/mol
LogP0.81
Rot. Bonds2

About methoxysulfanyl(methyl)carbamic acid

methoxysulfanyl(methyl)carbamic acid (PubChem CID 56630167) has the molecular formula C3H7NO3S and a molecular weight of 137.16 g/mol. Its IUPAC name is methoxysulfanyl(methyl)carbamic acid.

Molecular Properties

Compound Namemethoxysulfanyl(methyl)carbamic acid
PubChem CID56630167
Molecular FormulaC3H7NO3S
Molecular Weight137.16 g/mol
Exact Mass137.01
IUPAC Namemethoxysulfanyl(methyl)carbamic acid
SMILESCOSN(C)C(=O)O
InChIInChI=1S/C3H7NO3S/c1-4(3(5)6)8-7-2/h1-2H3,(H,5,6)
InChIKeyNSLCZYPCWSTWQL-UHFFFAOYSA-N
XLogP0.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl(methylsulfanyl)carbamic acid
CID 19961063
aminosulfanyl(methyl)carbamic acid
CID 21481452
methyl(phenylmethoxysulfanyl)carbamic acid
CID 88739044
dimethoxysilane;bis(dimethylcarbamic acid)
CID 173419025
dimethylcarbamic acid;ethane
CID 143338074
dimethylcarbamic acid;nickel
CID 87135907
carbonic acid;methyl hydrogen carbonate
CID 175554276
[carboxyoxy(methyl)amino] hydrogen carbonate
CID 23295715
iodo(methyl)carbamic acid
CID 88640378
methyl hydrogen carbonate;propan-2-one
CID 157174234
methyl N-(disulfanyl)-N-methylcarbamate
CID 90808667
but-1-ynylsulfanyl(methyl)carbamic acid
CID 88753913

Frequently Asked Questions

What is the IUPAC name of methoxysulfanyl(methyl)carbamic acid?
The IUPAC name of methoxysulfanyl(methyl)carbamic acid (CID 56630167) is methoxysulfanyl(methyl)carbamic acid.
What is the SMILES notation for methoxysulfanyl(methyl)carbamic acid?
The canonical SMILES for methoxysulfanyl(methyl)carbamic acid is COSN(C)C(=O)O.
What is the InChIKey of methoxysulfanyl(methyl)carbamic acid?
The InChIKey is NSLCZYPCWSTWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3S/c1-4(3(5)6)8-7-2/h1-2H3,(H,5,6).
What are the key properties of methoxysulfanyl(methyl)carbamic acid?
methoxysulfanyl(methyl)carbamic acid has a molecular weight of 137.16 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxysulfanyl(methyl)carbamic acid is sourced from PubChem (CID 56630167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).