1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole

C10H11ClN4O2S — CID 1079816

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole
SMILESCOc1cc(-n2nnnc2SC)c(OC)cc1Cl
InChIInChI=1S/C10H11ClN4O2S/c1-16-8-5-7(9(17-2)4-6(8)11)15-10(18-3)12-13-14-15/h4-5H,1-3H3
InChIKeyMLUMFCVPBMHUEY-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.05
Rot. Bonds4

About 1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole

1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole (PubChem CID 1079816) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole
PubChem CID1079816
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole
SMILESCOc1cc(-n2nnnc2SC)c(OC)cc1Cl
InChIInChI=1S/C10H11ClN4O2S/c1-16-8-5-7(9(17-2)4-6(8)11)15-10(18-3)12-13-14-15/h4-5H,1-3H3
InChIKeyMLUMFCVPBMHUEY-UHFFFAOYSA-N
XLogP2.05
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole (CID 1079816) is 1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole is COc1cc(-n2nnnc2SC)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole?
The InChIKey is MLUMFCVPBMHUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c1-16-8-5-7(9(17-2)4-6(8)11)15-10(18-3)12-13-14-15/h4-5H,1-3H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole?
1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole has a molecular weight of 286.74 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfanyltetrazole is sourced from PubChem (CID 1079816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).