diethylaminosulfanylcarbothioyl formate

C6H11NO2S2 — CID 174929359

IUPACdiethylaminosulfanylcarbothioyl formate
SMILESCCN(CC)SC(=S)OC=O
InChIInChI=1S/C6H11NO2S2/c1-3-7(4-2)11-6(10)9-5-8/h5H,3-4H2,1-2H3
InChIKeyANXOBHZALYBVFS-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.43
Rot. Bonds4

About diethylaminosulfanylcarbothioyl formate

diethylaminosulfanylcarbothioyl formate (PubChem CID 174929359) has the molecular formula C6H11NO2S2 and a molecular weight of 193.29 g/mol. Its IUPAC name is diethylaminosulfanylcarbothioyl formate.

Molecular Properties

Compound Namediethylaminosulfanylcarbothioyl formate
PubChem CID174929359
Molecular FormulaC6H11NO2S2
Molecular Weight193.29 g/mol
Exact Mass193.02
IUPAC Namediethylaminosulfanylcarbothioyl formate
SMILESCCN(CC)SC(=S)OC=O
InChIInChI=1S/C6H11NO2S2/c1-3-7(4-2)11-6(10)9-5-8/h5H,3-4H2,1-2H3
InChIKeyANXOBHZALYBVFS-UHFFFAOYSA-N
XLogP1.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

S-(diethylamino) N,N-diethylcarbamothioate
CID 547045
carbamothioyl formate
CID 18693035
pent-2-en-2-yl formate
CID 54239805
ethyl 2-formyloxyprop-2-enoate
CID 134335500
diethylamino carbamimidothioate
CID 150672917
bis(methylsulfanyl)carbamothioyl propane-1-sulfonate
CID 87409041
1-O-ethyl 4-O-formyl butanedioate
CID 91193992
formyl acetate;trihydrate
CID 174475141
azane;formyl acetate
CID 87373456
ethyl formate;methanol
CID 87496134
ethane;N-ethyl-N-methylsulfanylethanamine
CID 143371235
formyl heptanoate
CID 57242473

Frequently Asked Questions

What is the IUPAC name of diethylaminosulfanylcarbothioyl formate?
The IUPAC name of diethylaminosulfanylcarbothioyl formate (CID 174929359) is diethylaminosulfanylcarbothioyl formate.
What is the SMILES notation for diethylaminosulfanylcarbothioyl formate?
The canonical SMILES for diethylaminosulfanylcarbothioyl formate is CCN(CC)SC(=S)OC=O.
What is the InChIKey of diethylaminosulfanylcarbothioyl formate?
The InChIKey is ANXOBHZALYBVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S2/c1-3-7(4-2)11-6(10)9-5-8/h5H,3-4H2,1-2H3.
What are the key properties of diethylaminosulfanylcarbothioyl formate?
diethylaminosulfanylcarbothioyl formate has a molecular weight of 193.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethylaminosulfanylcarbothioyl formate is sourced from PubChem (CID 174929359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).