5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole

C10H6Cl3NOS2 — CID 42622973

IUPAC5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole
SMILESO=[S@@](Cc1c(Cl)cccc1Cl)c1ncc(Cl)s1
InChIInChI=1S/C10H6Cl3NOS2/c11-7-2-1-3-8(12)6(7)5-17(15)10-14-4-9(13)16-10/h1-4H,5H2/t17-/m0/s1
InChIKeyLUXUSORVBCAJSJ-KRWDZBQOSA-N
MW326.66 g/mol
LogP4.41
Rot. Bonds3

About 5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole

5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole (PubChem CID 42622973) has the molecular formula C10H6Cl3NOS2 and a molecular weight of 326.66 g/mol. Its IUPAC name is 5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole
PubChem CID42622973
Molecular FormulaC10H6Cl3NOS2
Molecular Weight326.66 g/mol
Exact Mass324.90
IUPAC Name5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole
SMILESO=[S@@](Cc1c(Cl)cccc1Cl)c1ncc(Cl)s1
InChIInChI=1S/C10H6Cl3NOS2/c11-7-2-1-3-8(12)6(7)5-17(15)10-14-4-9(13)16-10/h1-4H,5H2/t17-/m0/s1
InChIKeyLUXUSORVBCAJSJ-KRWDZBQOSA-N
XLogP4.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.66
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole?
The IUPAC name of 5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole (CID 42622973) is 5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole?
The canonical SMILES for 5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole is O=[S@@](Cc1c(Cl)cccc1Cl)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole?
The InChIKey is LUXUSORVBCAJSJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C10H6Cl3NOS2/c11-7-2-1-3-8(12)6(7)5-17(15)10-14-4-9(13)16-10/h1-4H,5H2/t17-/m0/s1.
What are the key properties of 5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole?
5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole has a molecular weight of 326.66 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-1,3-thiazole is sourced from PubChem (CID 42622973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).