4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol

C14H11BrN4OS — CID 1017455

IUPAC4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2SCc2ccccc2Br)cc1
InChIInChI=1S/C14H11BrN4OS/c15-13-4-2-1-3-10(13)9-21-14-16-17-18-19(14)11-5-7-12(20)8-6-11/h1-8,20H,9H2
InChIKeyLCHCWLKHJCMKEM-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.42
Rot. Bonds4

About 4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol

4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol (PubChem CID 1017455) has the molecular formula C14H11BrN4OS and a molecular weight of 363.24 g/mol. Its IUPAC name is 4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol
PubChem CID1017455
Molecular FormulaC14H11BrN4OS
Molecular Weight363.24 g/mol
Exact Mass361.98
IUPAC Name4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2SCc2ccccc2Br)cc1
InChIInChI=1S/C14H11BrN4OS/c15-13-4-2-1-3-10(13)9-21-14-16-17-18-19(14)11-5-7-12(20)8-6-11/h1-8,20H,9H2
InChIKeyLCHCWLKHJCMKEM-UHFFFAOYSA-N
XLogP3.42
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-nitro-2-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}phenol
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3-[5-[(2-Fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
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4-(5-Prop-2-enylsulfanyltetrazol-1-yl)phenol
CID 2801423
4-[5-[(3,5-Difluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 2809870
4-(5-Propylsulfanyltetrazol-1-yl)phenol
CID 16385597
5-(3-Hydroxybenzylsulfanyl)-1-phenyl-tetrazole
CID 85918435
4-[5-[(2-Fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 4814734
4-[5-[(4-Fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 4814741
4-[5-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]tetrazol-1-yl]phenol
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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol (CID 1017455) is 4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol is Oc1ccc(-n2nnnc2SCc2ccccc2Br)cc1.
What is the InChIKey of 4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol?
The InChIKey is LCHCWLKHJCMKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4OS/c15-13-4-2-1-3-10(13)9-21-14-16-17-18-19(14)11-5-7-12(20)8-6-11/h1-8,20H,9H2.
What are the key properties of 4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol?
4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol has a molecular weight of 363.24 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 1017455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).