2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol

C8H16N4OS — CID 43417030

IUPAC2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol
SMILESCCCCn1nnnc1CSCCO
InChIInChI=1S/C8H16N4OS/c1-2-3-4-12-8(9-10-11-12)7-14-6-5-13/h13H,2-7H2,1H3
InChIKeyTWZBTLPOYSRMNN-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.70
Rot. Bonds7

About 2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol

2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol (PubChem CID 43417030) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol
PubChem CID43417030
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol
SMILESCCCCn1nnnc1CSCCO
InChIInChI=1S/C8H16N4OS/c1-2-3-4-12-8(9-10-11-12)7-14-6-5-13/h13H,2-7H2,1H3
InChIKeyTWZBTLPOYSRMNN-UHFFFAOYSA-N
XLogP0.70
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1-butyltetrazol-5-yl)methylsulfanyl]butan-2-amine
CID 66231533
2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441929
1-butyl-5-propyltetrazole
CID 69032145
3-[(1-butyltetrazol-5-yl)methylsulfanyl]butanoic acid
CID 66137611
1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole
CID 67260727
2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 47115102
1-butyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]tetrazole
CID 47009469
(2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid
CID 106443345
2-(1-nonyltetrazol-5-yl)acetic acid
CID 162532459
2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 78911654
2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid
CID 79809474
1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine
CID 79530668

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol?
The IUPAC name of 2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol (CID 43417030) is 2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol.
What is the SMILES notation for 2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol?
The canonical SMILES for 2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol is CCCCn1nnnc1CSCCO.
What is the InChIKey of 2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol?
The InChIKey is TWZBTLPOYSRMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-2-3-4-12-8(9-10-11-12)7-14-6-5-13/h13H,2-7H2,1H3.
What are the key properties of 2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol?
2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol has a molecular weight of 216.31 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol is sourced from PubChem (CID 43417030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).