4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol

C11H14N4OS — CID 60864055

IUPAC4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol
SMILESCCCn1nnnc1CSc1ccc(O)cc1
InChIInChI=1S/C11H14N4OS/c1-2-7-15-11(12-13-14-15)8-17-10-5-3-9(16)4-6-10/h3-6,16H,2,7-8H2,1H3
InChIKeyUYLXSWBDGXQYLN-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.08
Rot. Bonds5

About 4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol

4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol (PubChem CID 60864055) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol
PubChem CID60864055
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol
SMILESCCCn1nnnc1CSc1ccc(O)cc1
InChIInChI=1S/C11H14N4OS/c1-2-7-15-11(12-13-14-15)8-17-10-5-3-9(16)4-6-10/h3-6,16H,2,7-8H2,1H3
InChIKeyUYLXSWBDGXQYLN-UHFFFAOYSA-N
XLogP2.08
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline
CID 43299209
2-methyl-4-[5-(phenylsulfanylmethyl)tetrazol-1-yl]butanoic acid
CID 80541595
3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine
CID 66144586
4-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387362
4-[5-[(4-bromophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387271
5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9199499
4-[(1-butyltetrazol-5-yl)methylsulfanyl]pyridine-2-carboxylic acid
CID 79554470
2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine
CID 47143055
3-methoxy-4-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline
CID 79822172
[5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630553
1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole
CID 78812765
2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine
CID 75446599

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol?
The IUPAC name of 4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol (CID 60864055) is 4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol.
What is the SMILES notation for 4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol?
The canonical SMILES for 4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol is CCCn1nnnc1CSc1ccc(O)cc1.
What is the InChIKey of 4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol?
The InChIKey is UYLXSWBDGXQYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-2-7-15-11(12-13-14-15)8-17-10-5-3-9(16)4-6-10/h3-6,16H,2,7-8H2,1H3.
What are the key properties of 4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol?
4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol has a molecular weight of 250.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol is sourced from PubChem (CID 60864055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).