1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol

C12H15ClN4OS — CID 110897656

IUPAC1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol
SMILESCC(C)n1nnnc1SCC(O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN4OS/c1-8(2)17-12(14-15-16-17)19-7-11(18)9-5-3-4-6-10(9)13/h3-6,8,11,18H,7H2,1-2H3
InChIKeyHQMFVLOEGRTKCI-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.73
Rot. Bonds5

About 1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol

1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol (PubChem CID 110897656) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol
PubChem CID110897656
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol
SMILESCC(C)n1nnnc1SCC(O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN4OS/c1-8(2)17-12(14-15-16-17)19-7-11(18)9-5-3-4-6-10(9)13/h3-6,8,11,18H,7H2,1-2H3
InChIKeyHQMFVLOEGRTKCI-UHFFFAOYSA-N
XLogP2.73
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol
CID 111629939
1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
CID 110897654
5-[2-(2-chlorophenyl)ethylsulfanyl]-1-propan-2-yltetrazole
CID 60603695
N-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 26428369
(1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
CID 95647156
5-(2-chlorophenyl)-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 24661714
3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 96560390
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol
CID 66145607
5-[(4-bromophenyl)methylsulfanyl]-1-propan-2-yltetrazole
CID 52520760
2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol
CID 66153915
5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline
CID 38875747
2-[2-(1-propan-2-yltetrazol-5-yl)sulfanylethyl]isoindole-1,3-dione
CID 27138926

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol (CID 110897656) is 1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol is CC(C)n1nnnc1SCC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol?
The InChIKey is HQMFVLOEGRTKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-8(2)17-12(14-15-16-17)19-7-11(18)9-5-3-4-6-10(9)13/h3-6,8,11,18H,7H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol?
1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol has a molecular weight of 298.80 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol is sourced from PubChem (CID 110897656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).