methyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate

C7H14N2S2 — CID 59894433

IUPACmethyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate
SMILESCCN(N=C(C)C)C(=S)SC
InChIInChI=1S/C7H14N2S2/c1-5-9(7(10)11-4)8-6(2)3/h5H2,1-4H3
InChIKeyAPLXENCMQUFAPJ-UHFFFAOYSA-N
MW190.34 g/mol
LogP2.35
Rot. Bonds2

About methyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate

methyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate (PubChem CID 59894433) has the molecular formula C7H14N2S2 and a molecular weight of 190.34 g/mol. Its IUPAC name is methyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate.

Molecular Properties

Compound Namemethyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate
PubChem CID59894433
Molecular FormulaC7H14N2S2
Molecular Weight190.34 g/mol
Exact Mass190.06
IUPAC Namemethyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate
SMILESCCN(N=C(C)C)C(=S)SC
InChIInChI=1S/C7H14N2S2/c1-5-9(7(10)11-4)8-6(2)3/h5H2,1-4H3
InChIKeyAPLXENCMQUFAPJ-UHFFFAOYSA-N
XLogP2.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate
CID 145483760
diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold
CID 87918592
N-(2-hydroxyethyl)-N-(propan-2-ylideneamino)acetamide
CID 130126252
(diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate
CID 54321887
1-ethyl-1-(ethylideneamino)thiourea
CID 88775197
ethane;N-ethyl-N-methylsulfanylethanamine
CID 143371235
N-methyl-N-(propan-2-ylideneamino)butan-1-amine
CID 143073582
bis(diethylcarbamothioylsulfanyl)lead
CID 16685131
methyl N-(butan-2-ylideneamino)carbamodithioate
CID 3501146
(Z)-N-ethyl-N-methyl-2-methylsulfanylprop-1-en-1-amine
CID 146392744
ethyl N-ethyl-N-sulfanylcarbamodithioate
CID 131862890
diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;bis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate)
CID 174871842

Frequently Asked Questions

What is the IUPAC name of methyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate?
The IUPAC name of methyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate (CID 59894433) is methyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate.
What is the SMILES notation for methyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate?
The canonical SMILES for methyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate is CCN(N=C(C)C)C(=S)SC.
What is the InChIKey of methyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate?
The InChIKey is APLXENCMQUFAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S2/c1-5-9(7(10)11-4)8-6(2)3/h5H2,1-4H3.
What are the key properties of methyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate?
methyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate has a molecular weight of 190.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate is sourced from PubChem (CID 59894433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).