3-(2-methylhydrazinyl)butane-1-thiol

C5H14N2S — CID 123273187

IUPAC3-(2-methylhydrazinyl)butane-1-thiol
SMILESCNNC(C)CCS
InChIInChI=1S/C5H14N2S/c1-5(3-4-8)7-6-2/h5-8H,3-4H2,1-2H3
InChIKeyMMCQUTCIDUGBGV-UHFFFAOYSA-N
MW134.25 g/mol
LogP0.42
Rot. Bonds4

About 3-(2-methylhydrazinyl)butane-1-thiol

3-(2-methylhydrazinyl)butane-1-thiol (PubChem CID 123273187) has the molecular formula C5H14N2S and a molecular weight of 134.25 g/mol. Its IUPAC name is 3-(2-methylhydrazinyl)butane-1-thiol.

Molecular Properties

Compound Name3-(2-methylhydrazinyl)butane-1-thiol
PubChem CID123273187
Molecular FormulaC5H14N2S
Molecular Weight134.25 g/mol
Exact Mass134.09
IUPAC Name3-(2-methylhydrazinyl)butane-1-thiol
SMILESCNNC(C)CCS
InChIInChI=1S/C5H14N2S/c1-5(3-4-8)7-6-2/h5-8H,3-4H2,1-2H3
InChIKeyMMCQUTCIDUGBGV-UHFFFAOYSA-N
XLogP0.42
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.25
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 3-(2-methylhydrazinyl)butane-1-thiol?
The IUPAC name of 3-(2-methylhydrazinyl)butane-1-thiol (CID 123273187) is 3-(2-methylhydrazinyl)butane-1-thiol.
What is the SMILES notation for 3-(2-methylhydrazinyl)butane-1-thiol?
The canonical SMILES for 3-(2-methylhydrazinyl)butane-1-thiol is CNNC(C)CCS.
What is the InChIKey of 3-(2-methylhydrazinyl)butane-1-thiol?
The InChIKey is MMCQUTCIDUGBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2S/c1-5(3-4-8)7-6-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-(2-methylhydrazinyl)butane-1-thiol?
3-(2-methylhydrazinyl)butane-1-thiol has a molecular weight of 134.25 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylhydrazinyl)butane-1-thiol is sourced from PubChem (CID 123273187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).