2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate

C10H16N2O2S4 — CID 10958308

IUPAC2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate
SMILESC=COCCNC(=S)SSC(=S)NCCOC=C
InChIInChI=1S/C10H16N2O2S4/c1-3-13-7-5-11-9(15)17-18-10(16)12-6-8-14-4-2/h3-4H,1-2,5-8H2,(H,11,15)(H,12,16)
InChIKeyWTVMIRYNXDLUNT-UHFFFAOYSA-N
MW324.52 g/mol
LogP2.44
Rot. Bonds8

About 2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate

2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate (PubChem CID 10958308) has the molecular formula C10H16N2O2S4 and a molecular weight of 324.52 g/mol. Its IUPAC name is 2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate.

Molecular Properties

Compound Name2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate
PubChem CID10958308
Molecular FormulaC10H16N2O2S4
Molecular Weight324.52 g/mol
Exact Mass324.01
IUPAC Name2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate
SMILESC=COCCNC(=S)SSC(=S)NCCOC=C
InChIInChI=1S/C10H16N2O2S4/c1-3-13-7-5-11-9(15)17-18-10(16)12-6-8-14-4-2/h3-4H,1-2,5-8H2,(H,11,15)(H,12,16)
InChIKeyWTVMIRYNXDLUNT-UHFFFAOYSA-N
XLogP2.44
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate?
The IUPAC name of 2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate (CID 10958308) is 2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate.
What is the SMILES notation for 2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate?
The canonical SMILES for 2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate is C=COCCNC(=S)SSC(=S)NCCOC=C.
What is the InChIKey of 2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate?
The InChIKey is WTVMIRYNXDLUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S4/c1-3-13-7-5-11-9(15)17-18-10(16)12-6-8-14-4-2/h3-4H,1-2,5-8H2,(H,11,15)(H,12,16).
What are the key properties of 2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate?
2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate has a molecular weight of 324.52 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyethylcarbamothioylsulfanyl N-(2-ethenoxyethyl)carbamodithioate is sourced from PubChem (CID 10958308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).