N'-(2-methoxyethyl)ethanedithioamide

C5H10N2OS2 — CID 12684688

IUPACN'-(2-methoxyethyl)ethanedithioamide
SMILESCOCCNC(=S)C(N)=S
InChIInChI=1S/C5H10N2OS2/c1-8-3-2-7-5(10)4(6)9/h2-3H2,1H3,(H2,6,9)(H,7,10)
InChIKeyTVKUSPHYWPMQFW-UHFFFAOYSA-N
MW178.28 g/mol
LogP-0.16
Rot. Bonds3

About N'-(2-methoxyethyl)ethanedithioamide

N'-(2-methoxyethyl)ethanedithioamide (PubChem CID 12684688) has the molecular formula C5H10N2OS2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N'-(2-methoxyethyl)ethanedithioamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)ethanedithioamide
PubChem CID12684688
Molecular FormulaC5H10N2OS2
Molecular Weight178.28 g/mol
Exact Mass178.02
IUPAC NameN'-(2-methoxyethyl)ethanedithioamide
SMILESCOCCNC(=S)C(N)=S
InChIInChI=1S/C5H10N2OS2/c1-8-3-2-7-5(10)4(6)9/h2-3H2,1H3,(H2,6,9)(H,7,10)
InChIKeyTVKUSPHYWPMQFW-UHFFFAOYSA-N
XLogP-0.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbamodithioic acid;2-methoxy-N-methylethanamine
CID 174232008
1-(dimethylamino)-3-(2-methoxyethyl)thiourea
CID 115570440
2-[(2-amino-2-sulfanylideneethanethioyl)amino]ethyl decanoate;2-[(2-amino-2-sulfanylideneethanethioyl)amino]ethyl dodecanoate;2-[(2-amino-2-sulfanylideneethanethioyl)amino]ethyl octanoate
CID 158190903
methyl N'-(2-methoxyethylcarbamoyl)carbamimidate
CID 21442162
1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189
1-(2-cyclopentylethyl)-3-(2-methoxyethyl)thiourea
CID 115578349
1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea
CID 115577098
1-(2-methoxyethyl)-3-prop-2-enylthiourea
CID 19652099
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea
CID 115588050
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
1-(2,3-dimethylbutyl)-3-(2-methoxyethyl)thiourea
CID 115642325

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)ethanedithioamide?
The IUPAC name of N'-(2-methoxyethyl)ethanedithioamide (CID 12684688) is N'-(2-methoxyethyl)ethanedithioamide.
What is the SMILES notation for N'-(2-methoxyethyl)ethanedithioamide?
The canonical SMILES for N'-(2-methoxyethyl)ethanedithioamide is COCCNC(=S)C(N)=S.
What is the InChIKey of N'-(2-methoxyethyl)ethanedithioamide?
The InChIKey is TVKUSPHYWPMQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS2/c1-8-3-2-7-5(10)4(6)9/h2-3H2,1H3,(H2,6,9)(H,7,10).
What are the key properties of N'-(2-methoxyethyl)ethanedithioamide?
N'-(2-methoxyethyl)ethanedithioamide has a molecular weight of 178.28 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)ethanedithioamide is sourced from PubChem (CID 12684688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).