methyl N-(2-ethenoxyethyl)carbamodithioate

C6H11NOS2 — CID 3079834

IUPACmethyl N-(2-ethenoxyethyl)carbamodithioate
SMILESC=COCCNC(=S)SC
InChIInChI=1S/C6H11NOS2/c1-3-8-5-4-7-6(9)10-2/h3H,1,4-5H2,2H3,(H,7,9)
InChIKeyYQDJHSCKNKBRSF-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.38
Rot. Bonds4

About methyl N-(2-ethenoxyethyl)carbamodithioate

methyl N-(2-ethenoxyethyl)carbamodithioate (PubChem CID 3079834) has the molecular formula C6H11NOS2 and a molecular weight of 177.29 g/mol. Its IUPAC name is methyl N-(2-ethenoxyethyl)carbamodithioate.

Molecular Properties

Compound Namemethyl N-(2-ethenoxyethyl)carbamodithioate
PubChem CID3079834
Molecular FormulaC6H11NOS2
Molecular Weight177.29 g/mol
Exact Mass177.03
IUPAC Namemethyl N-(2-ethenoxyethyl)carbamodithioate
SMILESC=COCCNC(=S)SC
InChIInChI=1S/C6H11NOS2/c1-3-8-5-4-7-6(9)10-2/h3H,1,4-5H2,2H3,(H,7,9)
InChIKeyYQDJHSCKNKBRSF-UHFFFAOYSA-N
XLogP1.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-ethenoxyethyl)carbamodithioate?
The IUPAC name of methyl N-(2-ethenoxyethyl)carbamodithioate (CID 3079834) is methyl N-(2-ethenoxyethyl)carbamodithioate.
What is the SMILES notation for methyl N-(2-ethenoxyethyl)carbamodithioate?
The canonical SMILES for methyl N-(2-ethenoxyethyl)carbamodithioate is C=COCCNC(=S)SC.
What is the InChIKey of methyl N-(2-ethenoxyethyl)carbamodithioate?
The InChIKey is YQDJHSCKNKBRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS2/c1-3-8-5-4-7-6(9)10-2/h3H,1,4-5H2,2H3,(H,7,9).
What are the key properties of methyl N-(2-ethenoxyethyl)carbamodithioate?
methyl N-(2-ethenoxyethyl)carbamodithioate has a molecular weight of 177.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-ethenoxyethyl)carbamodithioate is sourced from PubChem (CID 3079834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).