3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole

C9H5Cl3N2OS2 — CID 2761339

IUPAC3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole
SMILESO=S(Cc1ccc(Cl)c(Cl)c1)c1nc(Cl)ns1
InChIInChI=1S/C9H5Cl3N2OS2/c10-6-2-1-5(3-7(6)11)4-17(15)9-13-8(12)14-16-9/h1-3H,4H2
InChIKeyCBXXZAKQGHHWFQ-UHFFFAOYSA-N
MW327.65 g/mol
LogP3.81
Rot. Bonds3

About 3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole

3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole (PubChem CID 2761339) has the molecular formula C9H5Cl3N2OS2 and a molecular weight of 327.65 g/mol. Its IUPAC name is 3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole
PubChem CID2761339
Molecular FormulaC9H5Cl3N2OS2
Molecular Weight327.65 g/mol
Exact Mass325.89
IUPAC Name3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole
SMILESO=S(Cc1ccc(Cl)c(Cl)c1)c1nc(Cl)ns1
InChIInChI=1S/C9H5Cl3N2OS2/c10-6-2-1-5(3-7(6)11)4-17(15)9-13-8(12)14-16-9/h1-3H,4H2
InChIKeyCBXXZAKQGHHWFQ-UHFFFAOYSA-N
XLogP3.81
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.65
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dichlorophenyl)methylsulfinyl]aniline
CID 81181088
2-[(3,4-dichlorophenyl)methylsulfinyl]pyridine
CID 22764667
4-[(3,4-dichlorophenyl)methylsulfinyl]-2-fluoroaniline
CID 81190837
4-[(3,4-dichlorophenyl)methylsulfinyl]-3-methylaniline
CID 81192754
3-[(3,4-dichlorophenyl)methylsulfinyl]-2-methylaniline
CID 81190387
2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine
CID 61368096
3-[[(S)-(3,4-dichlorophenyl)methylsulfinyl]methyl]-5-methyl-1,2-oxazole
CID 95062159
2-[4-[(3-chloro-4-fluorophenyl)methylsulfinyl]phenyl]acetic acid
CID 103040683
4-[(3,4-dichlorophenyl)methylsulfinyl]butanoic acid
CID 123108575
3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene
CID 68559378
2-chloro-5-[(3,4-difluorophenyl)sulfinylmethyl]aniline
CID 61289028
4-[(3,4-dichlorophenyl)methyl]thiomorpholine
CID 793280

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole (CID 2761339) is 3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole is O=S(Cc1ccc(Cl)c(Cl)c1)c1nc(Cl)ns1.
What is the InChIKey of 3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole?
The InChIKey is CBXXZAKQGHHWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2OS2/c10-6-2-1-5(3-7(6)11)4-17(15)9-13-8(12)14-16-9/h1-3H,4H2.
What are the key properties of 3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole?
3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole has a molecular weight of 327.65 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole is sourced from PubChem (CID 2761339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).