ethylaminocarbamodithioic acid

C3H8N2S2 — CID 141050855

IUPACethylaminocarbamodithioic acid
SMILESCCNNC(=S)S
InChIInChI=1S/C3H8N2S2/c1-2-4-5-3(6)7/h4H,2H2,1H3,(H2,5,6,7)
InChIKeyAMZVXECOWFVBFQ-UHFFFAOYSA-N
MW136.25 g/mol
LogP0.32
Rot. Bonds2

About ethylaminocarbamodithioic acid

ethylaminocarbamodithioic acid (PubChem CID 141050855) has the molecular formula C3H8N2S2 and a molecular weight of 136.25 g/mol. Its IUPAC name is ethylaminocarbamodithioic acid.

Molecular Properties

Compound Nameethylaminocarbamodithioic acid
PubChem CID141050855
Molecular FormulaC3H8N2S2
Molecular Weight136.25 g/mol
Exact Mass136.01
IUPAC Nameethylaminocarbamodithioic acid
SMILESCCNNC(=S)S
InChIInChI=1S/C3H8N2S2/c1-2-4-5-3(6)7/h4H,2H2,1H3,(H2,5,6,7)
InChIKeyAMZVXECOWFVBFQ-UHFFFAOYSA-N
XLogP0.32
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.25
LogP ≤ 50.32
H-Bond Donors ≤ 53
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 ethylaminocarbamodithioic acid?
The IUPAC name of ethylaminocarbamodithioic acid (CID 141050855) is ethylaminocarbamodithioic acid.
What is the SMILES notation for ethylaminocarbamodithioic acid?
The canonical SMILES for ethylaminocarbamodithioic acid is CCNNC(=S)S.
What is the InChIKey of ethylaminocarbamodithioic acid?
The InChIKey is AMZVXECOWFVBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2S2/c1-2-4-5-3(6)7/h4H,2H2,1H3,(H2,5,6,7).
What are the key properties of ethylaminocarbamodithioic acid?
ethylaminocarbamodithioic acid has a molecular weight of 136.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylaminocarbamodithioic acid is sourced from PubChem (CID 141050855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).