4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane

C10H14ClNS — CID 178049354

IUPAC4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane
SMILESCC.CC1Nc2c(Cl)cccc2S1
InChIInChI=1S/C8H8ClNS.C2H6/c1-5-10-8-6(9)3-2-4-7(8)11-5;1-2/h2-5,10H,1H3;1-2H3
InChIKeyQKUCNYBGYHJTKL-UHFFFAOYSA-N
MW215.75 g/mol
LogP4.23
Rot. Bonds

About 4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane

4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane (PubChem CID 178049354) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane.

Molecular Properties

Compound Name4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane
PubChem CID178049354
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane
SMILESCC.CC1Nc2c(Cl)cccc2S1
InChIInChI=1S/C8H8ClNS.C2H6/c1-5-10-8-6(9)3-2-4-7(8)11-5;1-2/h2-5,10H,1H3;1-2H3
InChIKeyQKUCNYBGYHJTKL-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane?
The IUPAC name of 4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane (CID 178049354) is 4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane.
What is the SMILES notation for 4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane?
The canonical SMILES for 4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane is CC.CC1Nc2c(Cl)cccc2S1.
What is the InChIKey of 4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane?
The InChIKey is QKUCNYBGYHJTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNS.C2H6/c1-5-10-8-6(9)3-2-4-7(8)11-5;1-2/h2-5,10H,1H3;1-2H3.
What are the key properties of 4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane?
4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane has a molecular weight of 215.75 g/mol, XLogP of 4.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane is sourced from PubChem (CID 178049354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).