ethyl N-hydroxysulfanylcarbamate

C3H7NO3S — CID 175112420

IUPACethyl N-hydroxysulfanylcarbamate
SMILESCCOC(=O)NSO
InChIInChI=1S/C3H7NO3S/c1-2-7-3(5)4-8-6/h6H,2H2,1H3,(H,4,5)
InChIKeyWHYGALQLNCEBDA-UHFFFAOYSA-N
MW137.16 g/mol
LogP0.85
Rot. Bonds2

About ethyl N-hydroxysulfanylcarbamate

ethyl N-hydroxysulfanylcarbamate (PubChem CID 175112420) has the molecular formula C3H7NO3S and a molecular weight of 137.16 g/mol. Its IUPAC name is ethyl N-hydroxysulfanylcarbamate.

Molecular Properties

Compound Nameethyl N-hydroxysulfanylcarbamate
PubChem CID175112420
Molecular FormulaC3H7NO3S
Molecular Weight137.16 g/mol
Exact Mass137.01
IUPAC Nameethyl N-hydroxysulfanylcarbamate
SMILESCCOC(=O)NSO
InChIInChI=1S/C3H7NO3S/c1-2-7-3(5)4-8-6/h6H,2H2,1H3,(H,4,5)
InChIKeyWHYGALQLNCEBDA-UHFFFAOYSA-N
XLogP0.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

CID 175796855
CID 175796855
ethyl N-hydroxycarbamate
CID 11510
ethyl N-iodocarbamate
CID 21443578
CID 88818502
CID 88818502
cobalt;ethyl N-(ethoxycarbonylcarbamoyl)carbamate
CID 160975753
ethyl N-fluorocarbamate;methane
CID 158743481
azane;ethyl N-ethylcarbamate
CID 88547448
ethyl N-methylcarbamate;formaldehyde
CID 160650405
ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate
CID 137234542
ethyl N-[(4,6-dichloro-2-pyridinyl)carbamoylsulfanyl]carbamate
CID 141236284
ethyl N-(2-aminoethylamino)carbamate
CID 134311496
ethyl N-nitrosocarbamate
CID 19911416

Frequently Asked Questions

What is the IUPAC name of ethyl N-hydroxysulfanylcarbamate?
The IUPAC name of ethyl N-hydroxysulfanylcarbamate (CID 175112420) is ethyl N-hydroxysulfanylcarbamate.
What is the SMILES notation for ethyl N-hydroxysulfanylcarbamate?
The canonical SMILES for ethyl N-hydroxysulfanylcarbamate is CCOC(=O)NSO.
What is the InChIKey of ethyl N-hydroxysulfanylcarbamate?
The InChIKey is WHYGALQLNCEBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3S/c1-2-7-3(5)4-8-6/h6H,2H2,1H3,(H,4,5).
What are the key properties of ethyl N-hydroxysulfanylcarbamate?
ethyl N-hydroxysulfanylcarbamate has a molecular weight of 137.16 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-hydroxysulfanylcarbamate is sourced from PubChem (CID 175112420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).