(1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane

C7H12N2OS — CID 160822837

IUPAC(1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane
SMILESCc1ccc([C@H](C)O)nn1.S
InChIInChI=1S/C7H10N2O.H2S/c1-5-3-4-7(6(2)10)9-8-5;/h3-4,6,10H,1-2H3;1H2/t6-;/m0./s1
InChIKeySFTSPTPKDDIXTG-RGMNGODLSA-N
MW172.25 g/mol
LogP0.95
Rot. Bonds1

About (1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane

(1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane (PubChem CID 160822837) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is (1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane.

Molecular Properties

Compound Name(1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane
PubChem CID160822837
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name(1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane
SMILESCc1ccc([C@H](C)O)nn1.S
InChIInChI=1S/C7H10N2O.H2S/c1-5-3-4-7(6(2)10)9-8-5;/h3-4,6,10H,1-2H3;1H2/t6-;/m0./s1
InChIKeySFTSPTPKDDIXTG-RGMNGODLSA-N
XLogP0.95
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Hydroxymethyl)pyridazine
CID 2794575
(6-Methylpyridazin-3-yl)methanol
CID 53420938
1-(Pyridazin-3-yl)ethan-1-ol
CID 15197511
(6-(Trifluoromethyl)pyridazin-3-yl)methanol
CID 138110427
(Pyridazine-3,6-diyl)dimethanol
CID 15275423
1-(3,6-Dimethylpyridazin-4-yl)ethanol
CID 11491963
(6-Chloropyridazin-3-yl)methanol
CID 20557609
2,2-Difluoro-1-pyridazin-3-ylethanol
CID 123497578
2,2,2-Trifluoro-1-pyridazin-3-ylethanol
CID 123553174
1-[6-(Trifluoromethyl)pyridazin-3-yl]ethanol
CID 124116982
6-(Difluoromethyl)-3-pyridazinemethanol
CID 164861652
1-[6-(Trifluoromethyl)pyridazin-3-yl]ethenol
CID 177153120

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane?
The IUPAC name of (1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane (CID 160822837) is (1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane.
What is the SMILES notation for (1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane?
The canonical SMILES for (1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane is Cc1ccc([C@H](C)O)nn1.S.
What is the InChIKey of (1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane?
The InChIKey is SFTSPTPKDDIXTG-RGMNGODLSA-N. The full InChI is InChI=1S/C7H10N2O.H2S/c1-5-3-4-7(6(2)10)9-8-5;/h3-4,6,10H,1-2H3;1H2/t6-;/m0./s1.
What are the key properties of (1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane?
(1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane has a molecular weight of 172.25 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-methylpyridazin-3-yl)ethanol;sulfane is sourced from PubChem (CID 160822837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).