methoxy(methyl)carbamodithioic acid

C3H7NOS2 — CID 14839544

IUPACmethoxy(methyl)carbamodithioic acid
SMILESCON(C)C(=S)S
InChIInChI=1S/C3H7NOS2/c1-4(5-2)3(6)7/h1-2H3,(H,6,7)
InChIKeyGQOLQTZVIDHRNP-UHFFFAOYSA-N
MW137.23 g/mol
LogP0.69
Rot. Bonds1

About methoxy(methyl)carbamodithioic acid

methoxy(methyl)carbamodithioic acid (PubChem CID 14839544) has the molecular formula C3H7NOS2 and a molecular weight of 137.23 g/mol. Its IUPAC name is methoxy(methyl)carbamodithioic acid.

Molecular Properties

Compound Namemethoxy(methyl)carbamodithioic acid
PubChem CID14839544
Molecular FormulaC3H7NOS2
Molecular Weight137.23 g/mol
Exact Mass137.00
IUPAC Namemethoxy(methyl)carbamodithioic acid
SMILESCON(C)C(=S)S
InChIInChI=1S/C3H7NOS2/c1-4(5-2)3(6)7/h1-2H3,(H,6,7)
InChIKeyGQOLQTZVIDHRNP-UHFFFAOYSA-N
XLogP0.69
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy(methyl)carbamodithioic acid?
The IUPAC name of methoxy(methyl)carbamodithioic acid (CID 14839544) is methoxy(methyl)carbamodithioic acid.
What is the SMILES notation for methoxy(methyl)carbamodithioic acid?
The canonical SMILES for methoxy(methyl)carbamodithioic acid is CON(C)C(=S)S.
What is the InChIKey of methoxy(methyl)carbamodithioic acid?
The InChIKey is GQOLQTZVIDHRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS2/c1-4(5-2)3(6)7/h1-2H3,(H,6,7).
What are the key properties of methoxy(methyl)carbamodithioic acid?
methoxy(methyl)carbamodithioic acid has a molecular weight of 137.23 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(methyl)carbamodithioic acid is sourced from PubChem (CID 14839544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).