(2-ethylhydrazinyl)methanethiol

C3H10N2S — CID 89211258

IUPAC(2-ethylhydrazinyl)methanethiol
SMILESCCNNCS
InChIInChI=1S/C3H10N2S/c1-2-4-5-3-6/h4-6H,2-3H2,1H3
InChIKeyAEGBQVLWBKBLLW-UHFFFAOYSA-N
MW106.19 g/mol
LogP-0.01
Rot. Bonds3

About (2-ethylhydrazinyl)methanethiol

(2-ethylhydrazinyl)methanethiol (PubChem CID 89211258) has the molecular formula C3H10N2S and a molecular weight of 106.19 g/mol. Its IUPAC name is (2-ethylhydrazinyl)methanethiol.

Molecular Properties

Compound Name(2-ethylhydrazinyl)methanethiol
PubChem CID89211258
Molecular FormulaC3H10N2S
Molecular Weight106.19 g/mol
Exact Mass106.06
IUPAC Name(2-ethylhydrazinyl)methanethiol
SMILESCCNNCS
InChIInChI=1S/C3H10N2S/c1-2-4-5-3-6/h4-6H,2-3H2,1H3
InChIKeyAEGBQVLWBKBLLW-UHFFFAOYSA-N
XLogP-0.01
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethylhydrazinyl)methanethiol?
The IUPAC name of (2-ethylhydrazinyl)methanethiol (CID 89211258) is (2-ethylhydrazinyl)methanethiol.
What is the SMILES notation for (2-ethylhydrazinyl)methanethiol?
The canonical SMILES for (2-ethylhydrazinyl)methanethiol is CCNNCS.
What is the InChIKey of (2-ethylhydrazinyl)methanethiol?
The InChIKey is AEGBQVLWBKBLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2S/c1-2-4-5-3-6/h4-6H,2-3H2,1H3.
What are the key properties of (2-ethylhydrazinyl)methanethiol?
(2-ethylhydrazinyl)methanethiol has a molecular weight of 106.19 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylhydrazinyl)methanethiol is sourced from PubChem (CID 89211258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).