2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol

C5H10N4OS — CID 130758214

IUPAC2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol
SMILESCSCC(O)c1nnn(C)n1
InChIInChI=1S/C5H10N4OS/c1-9-7-5(6-8-9)4(10)3-11-2/h4,10H,3H2,1-2H3
InChIKeyKOOSVDLMOQTNLI-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.39
Rot. Bonds3

About 2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol

2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol (PubChem CID 130758214) has the molecular formula C5H10N4OS and a molecular weight of 174.23 g/mol. Its IUPAC name is 2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol
PubChem CID130758214
Molecular FormulaC5H10N4OS
Molecular Weight174.23 g/mol
Exact Mass174.06
IUPAC Name2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol
SMILESCSCC(O)c1nnn(C)n1
InChIInChI=1S/C5H10N4OS/c1-9-7-5(6-8-9)4(10)3-11-2/h4,10H,3H2,1-2H3
InChIKeyKOOSVDLMOQTNLI-UHFFFAOYSA-N
XLogP-0.39
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-azido-1-(2-methyltetrazol-5-yl)ethanol
CID 4164854
3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol
CID 130892425
2-amino-1-(2-methyltetrazol-5-yl)propan-1-ol
CID 84650561
1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylethanol
CID 127004646
2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol
CID 165446658
1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol
CID 106461816
methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate
CID 127004730
1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride
CID 53314595
(2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol
CID 130930410
propane;1-(2-propyltetrazol-5-yl)propan-1-ol
CID 145288431
3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 127004654
1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047829

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol (CID 130758214) is 2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol is CSCC(O)c1nnn(C)n1.
What is the InChIKey of 2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is KOOSVDLMOQTNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4OS/c1-9-7-5(6-8-9)4(10)3-11-2/h4,10H,3H2,1-2H3.
What are the key properties of 2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol?
2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 174.23 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 130758214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).