potassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide

C7H10KNO2S2 — CID 170552790

IUPACpotassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide
SMILESC=COC(C)([N-]C(=S)S)OC=C.[K+]
InChIInChI=1S/C7H11NO2S2.K/c1-4-9-7(3,10-5-2)8-6(11)12;/h4-5H,1-2H2,3H3,(H2,8,11,12);/q;+1/p-1
InChIKeyQCQNAQAJJMKAKN-UHFFFAOYSA-M
MW243.39 g/mol
LogP-0.43
Rot. Bonds5

About potassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide

potassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide (PubChem CID 170552790) has the molecular formula C7H10KNO2S2 and a molecular weight of 243.39 g/mol. Its IUPAC name is potassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide.

Molecular Properties

Compound Namepotassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide
PubChem CID170552790
Molecular FormulaC7H10KNO2S2
Molecular Weight243.39 g/mol
Exact Mass242.98
IUPAC Namepotassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide
SMILESC=COC(C)([N-]C(=S)S)OC=C.[K+]
InChIInChI=1S/C7H11NO2S2.K/c1-4-9-7(3,10-5-2)8-6(11)12;/h4-5H,1-2H2,3H3,(H2,8,11,12);/q;+1/p-1
InChIKeyQCQNAQAJJMKAKN-UHFFFAOYSA-M
XLogP-0.43
TPSA32.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethenoxypropan-2-amine
CID 154086052
1-chloro-1,1-bis(ethenoxy)ethane
CID 24973192
carbamodithioic acid;ethenoxyethene
CID 87921170
buta-1,3-diene;carbonotrithioic acid
CID 87988885
1,2-bis(ethenoxy)propan-2-ol
CID 150121763
(ditert-butylamino)oxymethanedithioic acid
CID 87721480
N-[tert-butyl(dimethyl)silyl]prop-2-enethioamide
CID 151360811
CID 175966059
CID 175966059
2-ethenoxy-2-propan-2-yloxypropane
CID 91036163
potassium tert-butylsulfanylmethanedithioic acid
CID 54601072
bis(O-methyl carbamothioate);prop-1-ene
CID 175031330
methyl 2,2,3,3-tetrachloro-3-ethenoxypropanoate
CID 21331426

Frequently Asked Questions

What is the IUPAC name of potassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide?
The IUPAC name of potassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide (CID 170552790) is potassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide.
What is the SMILES notation for potassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide?
The canonical SMILES for potassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide is C=COC(C)([N-]C(=S)S)OC=C.[K+].
What is the InChIKey of potassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide?
The InChIKey is QCQNAQAJJMKAKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11NO2S2.K/c1-4-9-7(3,10-5-2)8-6(11)12;/h4-5H,1-2H2,3H3,(H2,8,11,12);/q;+1/p-1.
What are the key properties of potassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide?
potassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide has a molecular weight of 243.39 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide is sourced from PubChem (CID 170552790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).