1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone

C10H8Cl2N4OS — CID 901001

IUPAC1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCn1nnnc1SCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N4OS/c1-16-10(13-14-15-16)18-5-9(17)7-3-2-6(11)4-8(7)12/h2-4H,5H2,1H3
InChIKeyJNQRROPPDOIUBL-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.49
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone

1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (PubChem CID 901001) has the molecular formula C10H8Cl2N4OS and a molecular weight of 303.17 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
PubChem CID901001
Molecular FormulaC10H8Cl2N4OS
Molecular Weight303.17 g/mol
Exact Mass301.98
IUPAC Name1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCn1nnnc1SCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N4OS/c1-16-10(13-14-15-16)18-5-9(17)7-3-2-6(11)4-8(7)12/h2-4H,5H2,1H3
InChIKeyJNQRROPPDOIUBL-UHFFFAOYSA-N
XLogP2.49
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (CID 901001) is 1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is Cn1nnnc1SCC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The InChIKey is JNQRROPPDOIUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4OS/c1-16-10(13-14-15-16)18-5-9(17)7-3-2-6(11)4-8(7)12/h2-4H,5H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone has a molecular weight of 303.17 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 901001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).