pyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate

C10H8N2S4 — CID 10891397

IUPACpyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate
SMILESS=C(SSC(=S)n1cccc1)n1cccc1
InChIInChI=1S/C10H8N2S4/c13-9(11-5-1-2-6-11)15-16-10(14)12-7-3-4-8-12/h1-8H
InChIKeyBCULAXXPRRCFKY-UHFFFAOYSA-N
MW284.46 g/mol
LogP3.64
Rot. Bonds

About pyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate

pyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate (PubChem CID 10891397) has the molecular formula C10H8N2S4 and a molecular weight of 284.46 g/mol. Its IUPAC name is pyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate.

Molecular Properties

Compound Namepyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate
PubChem CID10891397
Molecular FormulaC10H8N2S4
Molecular Weight284.46 g/mol
Exact Mass283.96
IUPAC Namepyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate
SMILESS=C(SSC(=S)n1cccc1)n1cccc1
InChIInChI=1S/C10H8N2S4/c13-9(11-5-1-2-6-11)15-16-10(14)12-7-3-4-8-12/h1-8H
InChIKeyBCULAXXPRRCFKY-UHFFFAOYSA-N
XLogP3.64
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate?
The IUPAC name of pyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate (CID 10891397) is pyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate.
What is the SMILES notation for pyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate?
The canonical SMILES for pyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate is S=C(SSC(=S)n1cccc1)n1cccc1.
What is the InChIKey of pyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate?
The InChIKey is BCULAXXPRRCFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S4/c13-9(11-5-1-2-6-11)15-16-10(14)12-7-3-4-8-12/h1-8H.
What are the key properties of pyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate?
pyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate has a molecular weight of 284.46 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrole-1-carbothioylsulfanyl pyrrole-1-carbodithioate is sourced from PubChem (CID 10891397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).