thiolan-3-ylhydrazine;dihydrochloride

C4H12Cl2N2S — CID 119031358

IUPACthiolan-3-ylhydrazine;dihydrochloride
SMILESCl.Cl.NNC1CCSC1
InChIInChI=1S/C4H10N2S.2ClH/c5-6-4-1-2-7-3-4;;/h4,6H,1-3,5H2;2*1H
InChIKeyBCSHWGJKUXXKID-UHFFFAOYSA-N
MW191.13 g/mol
LogP0.80
Rot. Bonds1

About thiolan-3-ylhydrazine;dihydrochloride

thiolan-3-ylhydrazine;dihydrochloride (PubChem CID 119031358) has the molecular formula C4H12Cl2N2S and a molecular weight of 191.13 g/mol. Its IUPAC name is thiolan-3-ylhydrazine;dihydrochloride.

Molecular Properties

Compound Namethiolan-3-ylhydrazine;dihydrochloride
PubChem CID119031358
Molecular FormulaC4H12Cl2N2S
Molecular Weight191.13 g/mol
Exact Mass190.01
IUPAC Namethiolan-3-ylhydrazine;dihydrochloride
SMILESCl.Cl.NNC1CCSC1
InChIInChI=1S/C4H10N2S.2ClH/c5-6-4-1-2-7-3-4;;/h4,6H,1-3,5H2;2*1H
InChIKeyBCSHWGJKUXXKID-UHFFFAOYSA-N
XLogP0.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.13
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Thian-4-yl)hydrazine hydrochloride
CID 22593898
(Thian-3-yl)hydrazine dihydrochloride
CID 137838599
(Thiolan-3-yl)hydrazine
CID 19432801
Thiolan-2-ylhydrazine
CID 19424667
(Thiolan-3-yl)hydrazine hydrochloride
CID 19432800
1-(Tetrahydro-2-methylthiophen-3-YL)hydrazine
CID 53403133
1-Methylsulfanylpropan-2-ylhydrazine
CID 55281387
Hydron;thian-4-ylhydrazine;chloride
CID 146636568
[(3R)-thiolan-3-yl]hydrazine
CID 28156015
[(3S)-thiolan-3-yl]hydrazine
CID 28156017
(1,1-Dioxidothiolan-3-yl)hydrazine
CID 53426847
4-Methylsulfanylbutan-2-ylhydrazine
CID 55281389

Frequently Asked Questions

What is the IUPAC name of thiolan-3-ylhydrazine;dihydrochloride?
The IUPAC name of thiolan-3-ylhydrazine;dihydrochloride (CID 119031358) is thiolan-3-ylhydrazine;dihydrochloride.
What is the SMILES notation for thiolan-3-ylhydrazine;dihydrochloride?
The canonical SMILES for thiolan-3-ylhydrazine;dihydrochloride is Cl.Cl.NNC1CCSC1.
What is the InChIKey of thiolan-3-ylhydrazine;dihydrochloride?
The InChIKey is BCSHWGJKUXXKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S.2ClH/c5-6-4-1-2-7-3-4;;/h4,6H,1-3,5H2;2*1H.
What are the key properties of thiolan-3-ylhydrazine;dihydrochloride?
thiolan-3-ylhydrazine;dihydrochloride has a molecular weight of 191.13 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiolan-3-ylhydrazine;dihydrochloride is sourced from PubChem (CID 119031358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).