ethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate

C6H10N2O2S — CID 178119095

IUPACethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate
SMILESCCOC(=O)/C(=N/N)C(C)=S
InChIInChI=1S/C6H10N2O2S/c1-3-10-6(9)5(8-7)4(2)11/h3,7H2,1-2H3/b8-5+
InChIKeySQYPXPPGUMLDIG-VMPITWQZSA-N
MW174.22 g/mol
LogP0.25
Rot. Bonds3

About ethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate

ethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate (PubChem CID 178119095) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is ethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate
PubChem CID178119095
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Nameethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate
SMILESCCOC(=O)/C(=N/N)C(C)=S
InChIInChI=1S/C6H10N2O2S/c1-3-10-6(9)5(8-7)4(2)11/h3,7H2,1-2H3/b8-5+
InChIKeySQYPXPPGUMLDIG-VMPITWQZSA-N
XLogP0.25
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-methyliminopropanedioate
CID 86205419
acetic acid;diethyl 2-hydroxyiminopropanedioate
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ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate
CID 134961994
ethyl (2E)-3-amino-2-methoxyimino-3-oxopropanoate
CID 14075610
ethyl 2-oxo(213C)propanoate
CID 71309469
CID 159370772
CID 159370772
ethyl (2E)-2-acetyloxyimino-3-oxobutanoate
CID 5355495
diethyl oxalate;ethyl acetate
CID 160900883
CID 159689459
CID 159689459
ethyl 2-hydroxyiminopropanoate
CID 6399798
ethyl 2-oxopropanoate;nitrous acid
CID 174912891
ethyl 2-methylprop-2-enoate
CID 130475774

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate?
The IUPAC name of ethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate (CID 178119095) is ethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate.
What is the SMILES notation for ethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate?
The canonical SMILES for ethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate is CCOC(=O)/C(=N/N)C(C)=S.
What is the InChIKey of ethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate?
The InChIKey is SQYPXPPGUMLDIG-VMPITWQZSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-3-10-6(9)5(8-7)4(2)11/h3,7H2,1-2H3/b8-5+.
What are the key properties of ethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate?
ethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate has a molecular weight of 174.22 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-hydrazinylidene-3-sulfanylidenebutanoate is sourced from PubChem (CID 178119095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).