1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate

C5H11NO2S4 — CID 57302175

IUPAC1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate
SMILESO=C(NC(S)CS)OC(S)CS
InChIInChI=1S/C5H11NO2S4/c7-5(6-3(11)1-9)8-4(12)2-10/h3-4,9-12H,1-2H2,(H,6,7)
InChIKeyVCDOIUASQQSJKO-UHFFFAOYSA-N
MW245.42 g/mol
LogP1.08
Rot. Bonds4

About 1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate

1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate (PubChem CID 57302175) has the molecular formula C5H11NO2S4 and a molecular weight of 245.42 g/mol. Its IUPAC name is 1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate.

Molecular Properties

Compound Name1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate
PubChem CID57302175
Molecular FormulaC5H11NO2S4
Molecular Weight245.42 g/mol
Exact Mass244.97
IUPAC Name1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate
SMILESO=C(NC(S)CS)OC(S)CS
InChIInChI=1S/C5H11NO2S4/c7-5(6-3(11)1-9)8-4(12)2-10/h3-4,9-12H,1-2H2,(H,6,7)
InChIKeyVCDOIUASQQSJKO-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.42
LogP ≤ 51.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate?
The IUPAC name of 1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate (CID 57302175) is 1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate.
What is the SMILES notation for 1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate?
The canonical SMILES for 1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate is O=C(NC(S)CS)OC(S)CS.
What is the InChIKey of 1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate?
The InChIKey is VCDOIUASQQSJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S4/c7-5(6-3(11)1-9)8-4(12)2-10/h3-4,9-12H,1-2H2,(H,6,7).
What are the key properties of 1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate?
1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate has a molecular weight of 245.42 g/mol, XLogP of 1.08, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate is sourced from PubChem (CID 57302175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).