methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate

C7H13NO2S2 — CID 145483760

IUPACmethyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate
SMILESCCN(C(=O)COC)C(=S)SC
InChIInChI=1S/C7H13NO2S2/c1-4-8(7(11)12-3)6(9)5-10-2/h4-5H2,1-3H3
InChIKeyXGLIFNKRWOOKFQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.13
Rot. Bonds3

About methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate

methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate (PubChem CID 145483760) has the molecular formula C7H13NO2S2 and a molecular weight of 207.32 g/mol. Its IUPAC name is methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate.

Molecular Properties

Compound Namemethyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate
PubChem CID145483760
Molecular FormulaC7H13NO2S2
Molecular Weight207.32 g/mol
Exact Mass207.04
IUPAC Namemethyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate
SMILESCCN(C(=O)COC)C(=S)SC
InChIInChI=1S/C7H13NO2S2/c1-4-8(7(11)12-3)6(9)5-10-2/h4-5H2,1-3H3
InChIKeyXGLIFNKRWOOKFQ-UHFFFAOYSA-N
XLogP1.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide
CID 97109049
2-[ethyl-(2-methoxyacetyl)amino]acetamide
CID 103104209
methyl N-ethyl-N-(propan-2-ylideneamino)carbamodithioate
CID 59894433
2-[ethyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62823516
methoxyethane;1-methoxypropan-2-one
CID 159894285
N-(3-aminopropyl)-N-ethyl-2-methoxyacetamide
CID 61276945
N-ethyl-N-[(2S)-2-fluoropropyl]-2-methoxyacetamide
CID 145336304
N-(azetidin-3-yl)-N-ethyl-2-methoxyacetamide
CID 66182532
2-methoxy-N,N-dipentylacetamide
CID 60776145
2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
(Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide
CID 172614344

Frequently Asked Questions

What is the IUPAC name of methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate?
The IUPAC name of methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate (CID 145483760) is methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate.
What is the SMILES notation for methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate?
The canonical SMILES for methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate is CCN(C(=O)COC)C(=S)SC.
What is the InChIKey of methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate?
The InChIKey is XGLIFNKRWOOKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S2/c1-4-8(7(11)12-3)6(9)5-10-2/h4-5H2,1-3H3.
What are the key properties of methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate?
methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate has a molecular weight of 207.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate is sourced from PubChem (CID 145483760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).