(carbamoyloxytrisulfanyl) carbamate

C2H4N2O4S3 — CID 118197198

IUPAC(carbamoyloxytrisulfanyl) carbamate
SMILESNC(=O)OSSSOC(N)=O
InChIInChI=1S/C2H4N2O4S3/c3-1(5)7-9-11-10-8-2(4)6/h(H2,3,5)(H2,4,6)
InChIKeyDRRPOHPTBUTGML-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.04
Rot. Bonds4

About (carbamoyloxytrisulfanyl) carbamate

(carbamoyloxytrisulfanyl) carbamate (PubChem CID 118197198) has the molecular formula C2H4N2O4S3 and a molecular weight of 216.26 g/mol. Its IUPAC name is (carbamoyloxytrisulfanyl) carbamate.

Molecular Properties

Compound Name(carbamoyloxytrisulfanyl) carbamate
PubChem CID118197198
Molecular FormulaC2H4N2O4S3
Molecular Weight216.26 g/mol
Exact Mass215.93
IUPAC Name(carbamoyloxytrisulfanyl) carbamate
SMILESNC(=O)OSSSOC(N)=O
InChIInChI=1S/C2H4N2O4S3/c3-1(5)7-9-11-10-8-2(4)6/h(H2,3,5)(H2,4,6)
InChIKeyDRRPOHPTBUTGML-UHFFFAOYSA-N
XLogP1.04
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (carbamoyloxytrisulfanyl) carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrasulfanyl carbamate
CID 87921024
carbamoyloxysulfanyl carbamate
CID 54354382
(carbamoyloxydisulfanyl) N-ethylcarbamate
CID 88639893
ruthenium;urea
CID 161030938
bis(oxygen(2-));titanium(4+);urea
CID 160875609
carbamoyl carbamate;dihydrochloride
CID 175326234
[(carbamoylamino)trisulfanyl]urea
CID 154440515
diamino(113C)methanone
CID 636363
disodium;carbamoyl carbamoperoxoate;hydride
CID 173126478
triazanium;carbamoyl phosphate;hydrogen carbonate
CID 160887362
titanium(4+) tetracarbamothioate
CID 161037335
amino carbamoperoxoate
CID 154219003

Frequently Asked Questions

What is the IUPAC name of (carbamoyloxytrisulfanyl) carbamate?
The IUPAC name of (carbamoyloxytrisulfanyl) carbamate (CID 118197198) is (carbamoyloxytrisulfanyl) carbamate.
What is the SMILES notation for (carbamoyloxytrisulfanyl) carbamate?
The canonical SMILES for (carbamoyloxytrisulfanyl) carbamate is NC(=O)OSSSOC(N)=O.
What is the InChIKey of (carbamoyloxytrisulfanyl) carbamate?
The InChIKey is DRRPOHPTBUTGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O4S3/c3-1(5)7-9-11-10-8-2(4)6/h(H2,3,5)(H2,4,6).
What are the key properties of (carbamoyloxytrisulfanyl) carbamate?
(carbamoyloxytrisulfanyl) carbamate has a molecular weight of 216.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (carbamoyloxytrisulfanyl) carbamate is sourced from PubChem (CID 118197198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).