hydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate

C7H15NO3S3 — CID 59488205

IUPAChydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate
SMILESCCSCNC(=O)OCSCSCO
InChIInChI=1S/C7H15NO3S3/c1-2-12-3-8-7(10)11-5-14-6-13-4-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyQMDMIZZQPAWNGV-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.75
Rot. Bonds8

About hydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate

hydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate (PubChem CID 59488205) has the molecular formula C7H15NO3S3 and a molecular weight of 257.40 g/mol. Its IUPAC name is hydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate.

Molecular Properties

Compound Namehydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate
PubChem CID59488205
Molecular FormulaC7H15NO3S3
Molecular Weight257.40 g/mol
Exact Mass257.02
IUPAC Namehydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate
SMILESCCSCNC(=O)OCSCSCO
InChIInChI=1S/C7H15NO3S3/c1-2-12-3-8-7(10)11-5-14-6-13-4-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyQMDMIZZQPAWNGV-UHFFFAOYSA-N
XLogP1.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate?
The IUPAC name of hydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate (CID 59488205) is hydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate.
What is the SMILES notation for hydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate?
The canonical SMILES for hydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate is CCSCNC(=O)OCSCSCO.
What is the InChIKey of hydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate?
The InChIKey is QMDMIZZQPAWNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S3/c1-2-12-3-8-7(10)11-5-14-6-13-4-9/h9H,2-6H2,1H3,(H,8,10).
What are the key properties of hydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate?
hydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate has a molecular weight of 257.40 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethylsulfanylmethylsulfanylmethyl N-(ethylsulfanylmethyl)carbamate is sourced from PubChem (CID 59488205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).