4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol

C12H8ClN5OS — CID 79841516

IUPAC4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2Sc2ccncc2Cl)cc1
InChIInChI=1S/C12H8ClN5OS/c13-10-7-14-6-5-11(10)20-12-15-16-17-18(12)8-1-3-9(19)4-2-8/h1-7,19H
InChIKeyWZOYXIHDSGMQQD-UHFFFAOYSA-N
MW305.75 g/mol
LogP2.57
Rot. Bonds3

About 4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol

4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol (PubChem CID 79841516) has the molecular formula C12H8ClN5OS and a molecular weight of 305.75 g/mol. Its IUPAC name is 4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol
PubChem CID79841516
Molecular FormulaC12H8ClN5OS
Molecular Weight305.75 g/mol
Exact Mass305.01
IUPAC Name4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2Sc2ccncc2Cl)cc1
InChIInChI=1S/C12H8ClN5OS/c13-10-7-14-6-5-11(10)20-12-15-16-17-18(12)8-1-3-9(19)4-2-8/h1-7,19H
InChIKeyWZOYXIHDSGMQQD-UHFFFAOYSA-N
XLogP2.57
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol
CID 63150358
4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol
CID 114476721
4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
CID 54937608
3-chloro-4-(1-phenyltetrazol-5-yl)sulfanylaniline
CID 594148
4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
CID 106933316
4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol
CID 60591812
4-[5-[(2-chloro-4-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 62044804
N-(2,6-dichlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814771
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 35987244
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide
CID 41312485
4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one
CID 9212270
(2S)-N-(3-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7473969

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol (CID 79841516) is 4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol is Oc1ccc(-n2nnnc2Sc2ccncc2Cl)cc1.
What is the InChIKey of 4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol?
The InChIKey is WZOYXIHDSGMQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5OS/c13-10-7-14-6-5-11(10)20-12-15-16-17-18(12)8-1-3-9(19)4-2-8/h1-7,19H.
What are the key properties of 4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol?
4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol has a molecular weight of 305.75 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 79841516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).