carbamoyloxysulfanyl carbamate

C2H4N2O4S — CID 54354382

IUPACcarbamoyloxysulfanyl carbamate
SMILESNC(=O)OSOC(N)=O
InChIInChI=1S/C2H4N2O4S/c3-1(5)7-9-8-2(4)6/h(H2,3,5)(H2,4,6)
InChIKeyUIBRRRWARNAHDQ-UHFFFAOYSA-N
MW152.13 g/mol
LogP-0.26
Rot. Bonds2

About carbamoyloxysulfanyl carbamate

carbamoyloxysulfanyl carbamate (PubChem CID 54354382) has the molecular formula C2H4N2O4S and a molecular weight of 152.13 g/mol. Its IUPAC name is carbamoyloxysulfanyl carbamate.

Molecular Properties

Compound Namecarbamoyloxysulfanyl carbamate
PubChem CID54354382
Molecular FormulaC2H4N2O4S
Molecular Weight152.13 g/mol
Exact Mass151.99
IUPAC Namecarbamoyloxysulfanyl carbamate
SMILESNC(=O)OSOC(N)=O
InChIInChI=1S/C2H4N2O4S/c3-1(5)7-9-8-2(4)6/h(H2,3,5)(H2,4,6)
InChIKeyUIBRRRWARNAHDQ-UHFFFAOYSA-N
XLogP-0.26
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(carbamoyloxytrisulfanyl) carbamate
CID 118197198
tetrasulfanyl carbamate
CID 87921024
ruthenium;urea
CID 161030938
carbamoyl carbamate;dihydrochloride
CID 175326234
diamino(113C)methanone
CID 636363
(carbamoyloxydisulfanyl) N-ethylcarbamate
CID 88639893
disodium;carbamoyl carbamoperoxoate;hydride
CID 173126478
potassium;carbamoyl formate;hydride
CID 174868765
carbamoyloxyselanyl carbamate
CID 140970798
amino carbamoperoxoate
CID 154219003
[2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate
CID 23571865
2-methylpent-3-enoyloxysulfanyl 2-methylpent-3-enoate
CID 91139961

Frequently Asked Questions

What is the IUPAC name of carbamoyloxysulfanyl carbamate?
The IUPAC name of carbamoyloxysulfanyl carbamate (CID 54354382) is carbamoyloxysulfanyl carbamate.
What is the SMILES notation for carbamoyloxysulfanyl carbamate?
The canonical SMILES for carbamoyloxysulfanyl carbamate is NC(=O)OSOC(N)=O.
What is the InChIKey of carbamoyloxysulfanyl carbamate?
The InChIKey is UIBRRRWARNAHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O4S/c3-1(5)7-9-8-2(4)6/h(H2,3,5)(H2,4,6).
What are the key properties of carbamoyloxysulfanyl carbamate?
carbamoyloxysulfanyl carbamate has a molecular weight of 152.13 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyloxysulfanyl carbamate is sourced from PubChem (CID 54354382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).