1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole

C19H20N4S — CID 52531160

IUPAC1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole
SMILESCc1cccc(C)c1-n1nnnc1S[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H20N4S/c1-13-7-5-8-14(2)18(13)23-19(20-21-22-23)24-17-12-6-10-15-9-3-4-11-16(15)17/h3-5,7-9,11,17H,6,10,12H2,1-2H3/t17-/m0/s1
InChIKeyAOWGFDNDKZNZSR-KRWDZBQOSA-N
MW336.46 g/mol
LogP4.45
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole

1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole (PubChem CID 52531160) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole
PubChem CID52531160
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole
SMILESCc1cccc(C)c1-n1nnnc1S[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H20N4S/c1-13-7-5-8-14(2)18(13)23-19(20-21-22-23)24-17-12-6-10-15-9-3-4-11-16(15)17/h3-5,7-9,11,17H,6,10,12H2,1-2H3/t17-/m0/s1
InChIKeyAOWGFDNDKZNZSR-KRWDZBQOSA-N
XLogP4.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole?
The IUPAC name of 1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole (CID 52531160) is 1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole?
The canonical SMILES for 1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole is Cc1cccc(C)c1-n1nnnc1S[C@H]1CCCc2ccccc21.
What is the InChIKey of 1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole?
The InChIKey is AOWGFDNDKZNZSR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4S/c1-13-7-5-8-14(2)18(13)23-19(20-21-22-23)24-17-12-6-10-15-9-3-4-11-16(15)17/h3-5,7-9,11,17H,6,10,12H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole?
1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole has a molecular weight of 336.46 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole is sourced from PubChem (CID 52531160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).