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

C10H12N4OS — CID 43394593

IUPAC2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol
SMILESOCCSCc1nnnn1-c1ccccc1
InChIInChI=1S/C10H12N4OS/c15-6-7-16-8-10-11-12-13-14(10)9-4-2-1-3-5-9/h1-5,15H,6-8H2
InChIKeyFLISQHZFLBMOJW-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.89
Rot. Bonds5

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

2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol (PubChem CID 43394593) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol
PubChem CID43394593
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol
SMILESOCCSCc1nnnn1-c1ccccc1
InChIInChI=1S/C10H12N4OS/c15-6-7-16-8-10-11-12-13-14(10)9-4-2-1-3-5-9/h1-5,15H,6-8H2
InChIKeyFLISQHZFLBMOJW-UHFFFAOYSA-N
XLogP0.89
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.89
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

3-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 13208288
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 78815853
5-[(3-chlorophenyl)methylsulfanylmethyl]-1-phenyltetrazole
CID 52561068
N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 43049377
3-[[1-(4-ethylphenyl)tetrazol-5-yl]methylsulfanyl]propanoic acid
CID 21295412
3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol
CID 104590232
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
[3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol
CID 66151702
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107317393

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol?
The IUPAC name of 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol (CID 43394593) is 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol.
What is the SMILES notation for 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol?
The canonical SMILES for 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol is OCCSCc1nnnn1-c1ccccc1.
What is the InChIKey of 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol?
The InChIKey is FLISQHZFLBMOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c15-6-7-16-8-10-11-12-13-14(10)9-4-2-1-3-5-9/h1-5,15H,6-8H2.
What are the key properties of 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol?
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol has a molecular weight of 236.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol is sourced from PubChem (CID 43394593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).