ethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate

C9H19NO3S3 — CID 58671292

IUPACethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate
SMILESCCSCSCOC(=O)NCCSCCO
InChIInChI=1S/C9H19NO3S3/c1-2-14-8-16-7-13-9(12)10-3-5-15-6-4-11/h11H,2-8H2,1H3,(H,10,12)
InChIKeyBYMLTJZQDAWYOH-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.84
Rot. Bonds10

About ethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate

ethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate (PubChem CID 58671292) has the molecular formula C9H19NO3S3 and a molecular weight of 285.46 g/mol. Its IUPAC name is ethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate.

Molecular Properties

Compound Nameethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate
PubChem CID58671292
Molecular FormulaC9H19NO3S3
Molecular Weight285.46 g/mol
Exact Mass285.05
IUPAC Nameethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate
SMILESCCSCSCOC(=O)NCCSCCO
InChIInChI=1S/C9H19NO3S3/c1-2-14-8-16-7-13-9(12)10-3-5-15-6-4-11/h11H,2-8H2,1H3,(H,10,12)
InChIKeyBYMLTJZQDAWYOH-UHFFFAOYSA-N
XLogP1.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.84
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 ethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate?
The IUPAC name of ethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate (CID 58671292) is ethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate.
What is the SMILES notation for ethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate?
The canonical SMILES for ethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate is CCSCSCOC(=O)NCCSCCO.
What is the InChIKey of ethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate?
The InChIKey is BYMLTJZQDAWYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S3/c1-2-14-8-16-7-13-9(12)10-3-5-15-6-4-11/h11H,2-8H2,1H3,(H,10,12).
What are the key properties of ethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate?
ethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate has a molecular weight of 285.46 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylmethylsulfanylmethyl N-[2-(2-hydroxyethylsulfanyl)ethyl]carbamate is sourced from PubChem (CID 58671292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).