3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol

C14H12N4OS — CID 104590232

IUPAC3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol
SMILESOc1cccc(SCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C14H12N4OS/c19-12-7-4-8-13(9-12)20-10-14-15-16-17-18(14)11-5-2-1-3-6-11/h1-9,19H,10H2
InChIKeyHBWVKOPIPBPOJP-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.66
Rot. Bonds4

About 3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol

3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol (PubChem CID 104590232) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol
PubChem CID104590232
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol
SMILESOc1cccc(SCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C14H12N4OS/c19-12-7-4-8-13(9-12)20-10-14-15-16-17-18(14)11-5-2-1-3-6-11/h1-9,19H,10H2
InChIKeyHBWVKOPIPBPOJP-UHFFFAOYSA-N
XLogP2.66
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol
CID 43394593
3-[5-(3-aminopropyl)tetrazol-1-yl]phenol
CID 82228068
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
3-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]aniline
CID 43304469
3-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 13208288
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
CID 4894638
3-methyl-4-[(1-phenyltetrazol-5-yl)methylsulfanyl]aniline
CID 43302821
5-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]aniline
CID 43302280
N-[(E)-1-(2,3-dichlorophenyl)-3-oxo-3-[3-[(1-phenyltetrazol-5-yl)methylsulfanyl]anilino]prop-1-en-2-yl]benzamide
CID 19300329
5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
CID 18131089
3-phenyl-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazole-2-thione
CID 27715089
5-bromo-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]pyridine
CID 47023498

Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol?
The IUPAC name of 3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol (CID 104590232) is 3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol.
What is the SMILES notation for 3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol?
The canonical SMILES for 3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol is Oc1cccc(SCc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol?
The InChIKey is HBWVKOPIPBPOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c19-12-7-4-8-13(9-12)20-10-14-15-16-17-18(14)11-5-2-1-3-6-11/h1-9,19H,10H2.
What are the key properties of 3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol?
3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol has a molecular weight of 284.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol is sourced from PubChem (CID 104590232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).