4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol

C10H12N4O2S — CID 106933316

IUPAC4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
SMILESC[C@@H](O)CSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C10H12N4O2S/c1-7(15)6-17-10-11-12-13-14(10)8-2-4-9(16)5-3-8/h2-5,7,15-16H,6H2,1H3/t7-/m1/s1
InChIKeyKMXUMEXDKQMQRO-SSDOTTSWSA-N
MW252.30 g/mol
LogP0.84
Rot. Bonds4

About 4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol

4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol (PubChem CID 106933316) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
PubChem CID106933316
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
SMILESC[C@@H](O)CSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C10H12N4O2S/c1-7(15)6-17-10-11-12-13-14(10)8-2-4-9(16)5-3-8/h2-5,7,15-16H,6H2,1H3/t7-/m1/s1
InChIKeyKMXUMEXDKQMQRO-SSDOTTSWSA-N
XLogP0.84
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
CID 54937608
4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol
CID 60670840
3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-methylpropanehydrazide
CID 63582154
(1S,2S,3R)-1-[4-(hydroxymethyl)phenyl]-4-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-methylbutane-1,3-diol
CID 6708369
4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
CID 60801602
2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol
CID 115872263
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8793054
4-[2-hydroxy-3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropoxy]benzonitrile
CID 46690753
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 18076417
4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol
CID 60591812
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-6-methylheptan-2-yl]acetamide
CID 9073912

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol (CID 106933316) is 4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol is C[C@@H](O)CSc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol?
The InChIKey is KMXUMEXDKQMQRO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-7(15)6-17-10-11-12-13-14(10)8-2-4-9(16)5-3-8/h2-5,7,15-16H,6H2,1H3/t7-/m1/s1.
What are the key properties of 4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol?
4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol has a molecular weight of 252.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol is sourced from PubChem (CID 106933316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).