tetrasulfanyl carbamate

CH3NO2S4 — CID 87921024

IUPACtetrasulfanyl carbamate
SMILESNC(=O)OSSSS
InChIInChI=1S/CH3NO2S4/c2-1(3)4-6-8-7-5/h5H,(H2,2,3)
InChIKeyOIFALSCCAMZFDX-UHFFFAOYSA-N
MW189.31 g/mol
LogP1.87
Rot. Bonds3

About tetrasulfanyl carbamate

tetrasulfanyl carbamate (PubChem CID 87921024) has the molecular formula CH3NO2S4 and a molecular weight of 189.31 g/mol. Its IUPAC name is tetrasulfanyl carbamate.

Molecular Properties

Compound Nametetrasulfanyl carbamate
PubChem CID87921024
Molecular FormulaCH3NO2S4
Molecular Weight189.31 g/mol
Exact Mass188.90
IUPAC Nametetrasulfanyl carbamate
SMILESNC(=O)OSSSS
InChIInChI=1S/CH3NO2S4/c2-1(3)4-6-8-7-5/h5H,(H2,2,3)
InChIKeyOIFALSCCAMZFDX-UHFFFAOYSA-N
XLogP1.87
TPSA52.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrasulfanyl carbamate?
The IUPAC name of tetrasulfanyl carbamate (CID 87921024) is tetrasulfanyl carbamate.
What is the SMILES notation for tetrasulfanyl carbamate?
The canonical SMILES for tetrasulfanyl carbamate is NC(=O)OSSSS.
What is the InChIKey of tetrasulfanyl carbamate?
The InChIKey is OIFALSCCAMZFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO2S4/c2-1(3)4-6-8-7-5/h5H,(H2,2,3).
What are the key properties of tetrasulfanyl carbamate?
tetrasulfanyl carbamate has a molecular weight of 189.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasulfanyl carbamate is sourced from PubChem (CID 87921024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).