S-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate

C10H20N2O2S4 — CID 146673584

IUPACS-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate
SMILESCCN(CC)C(=O)SSSSC(=O)N(CC)CC
InChIInChI=1S/C10H20N2O2S4/c1-5-11(6-2)9(13)15-17-18-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
InChIKeyJYKLPPLTRMDFAC-UHFFFAOYSA-N
MW328.55 g/mol
LogP4.59
Rot. Bonds7

About S-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate

S-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate (PubChem CID 146673584) has the molecular formula C10H20N2O2S4 and a molecular weight of 328.55 g/mol. Its IUPAC name is S-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate.

Molecular Properties

Compound NameS-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate
PubChem CID146673584
Molecular FormulaC10H20N2O2S4
Molecular Weight328.55 g/mol
Exact Mass328.04
IUPAC NameS-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate
SMILESCCN(CC)C(=O)SSSSC(=O)N(CC)CC
InChIInChI=1S/C10H20N2O2S4/c1-5-11(6-2)9(13)15-17-18-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
InChIKeyJYKLPPLTRMDFAC-UHFFFAOYSA-N
XLogP4.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 54.59
H-Bond Donors ≤ 50
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': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate?
The IUPAC name of S-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate (CID 146673584) is S-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate.
What is the SMILES notation for S-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate?
The canonical SMILES for S-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate is CCN(CC)C(=O)SSSSC(=O)N(CC)CC.
What is the InChIKey of S-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate?
The InChIKey is JYKLPPLTRMDFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S4/c1-5-11(6-2)9(13)15-17-18-16-10(14)12(7-3)8-4/h5-8H2,1-4H3.
What are the key properties of S-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate?
S-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate has a molecular weight of 328.55 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-(diethylcarbamoyltrisulfanyl) N,N-diethylcarbamothioate is sourced from PubChem (CID 146673584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).