2-(methylamino)ethylcarbamodithioic acid

C4H10N2S2 — CID 90890805

IUPAC2-(methylamino)ethylcarbamodithioic acid
SMILESCNCCNC(=S)S
InChIInChI=1S/C4H10N2S2/c1-5-2-3-6-4(7)8/h5H,2-3H2,1H3,(H2,6,7,8)
InChIKeyAYWVQZAQNFRUSH-UHFFFAOYSA-N
MW150.27 g/mol
LogP0.01
Rot. Bonds3

About 2-(methylamino)ethylcarbamodithioic acid

2-(methylamino)ethylcarbamodithioic acid (PubChem CID 90890805) has the molecular formula C4H10N2S2 and a molecular weight of 150.27 g/mol. Its IUPAC name is 2-(methylamino)ethylcarbamodithioic acid.

Molecular Properties

Compound Name2-(methylamino)ethylcarbamodithioic acid
PubChem CID90890805
Molecular FormulaC4H10N2S2
Molecular Weight150.27 g/mol
Exact Mass150.03
IUPAC Name2-(methylamino)ethylcarbamodithioic acid
SMILESCNCCNC(=S)S
InChIInChI=1S/C4H10N2S2/c1-5-2-3-6-4(7)8/h5H,2-3H2,1H3,(H2,6,7,8)
InChIKeyAYWVQZAQNFRUSH-UHFFFAOYSA-N
XLogP0.01
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-(methylamino)ethylcarbamodithioic acid?
The IUPAC name of 2-(methylamino)ethylcarbamodithioic acid (CID 90890805) is 2-(methylamino)ethylcarbamodithioic acid.
What is the SMILES notation for 2-(methylamino)ethylcarbamodithioic acid?
The canonical SMILES for 2-(methylamino)ethylcarbamodithioic acid is CNCCNC(=S)S.
What is the InChIKey of 2-(methylamino)ethylcarbamodithioic acid?
The InChIKey is AYWVQZAQNFRUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S2/c1-5-2-3-6-4(7)8/h5H,2-3H2,1H3,(H2,6,7,8).
What are the key properties of 2-(methylamino)ethylcarbamodithioic acid?
2-(methylamino)ethylcarbamodithioic acid has a molecular weight of 150.27 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethylcarbamodithioic acid is sourced from PubChem (CID 90890805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).