(R)-4-methylbenzenesulfinyl chloride

C7H7ClOS — CID 98048897

IUPAC(R)-4-methylbenzenesulfinyl chloride
SMILESCc1ccc([S@](=O)Cl)cc1
InChIInChI=1S/C7H7ClOS/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3/t10-/m0/s1
InChIKeyDYYLCPSSSFWEEA-JTQLQIEISA-N
MW174.65 g/mol
LogP2.26
Rot. Bonds1

About (R)-4-methylbenzenesulfinyl chloride

(R)-4-methylbenzenesulfinyl chloride (PubChem CID 98048897) has the molecular formula C7H7ClOS and a molecular weight of 174.65 g/mol. Its IUPAC name is (R)-4-methylbenzenesulfinyl chloride.

Molecular Properties

Compound Name(R)-4-methylbenzenesulfinyl chloride
PubChem CID98048897
Molecular FormulaC7H7ClOS
Molecular Weight174.65 g/mol
Exact Mass173.99
IUPAC Name(R)-4-methylbenzenesulfinyl chloride
SMILESCc1ccc([S@](=O)Cl)cc1
InChIInChI=1S/C7H7ClOS/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3/t10-/m0/s1
InChIKeyDYYLCPSSSFWEEA-JTQLQIEISA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.65
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
4-(4-tert-butylphenyl)benzenesulfinyl chloride
CID 145112822
4-fluorobenzenesulfinyl chloride
CID 12669616
chloromercury(1+);4-methylbenzenesulfinate
CID 134889927
1-[(1S)-1-chloroethyl]sulfinyl-4-methylbenzene
CID 102275551
4-methylbenzenesulfinic acid;tetrahydrate
CID 155656454
cadmium(2+);bis(4-methylbenzenesulfinate)
CID 139758343
barium(2+);bis(4-methylbenzenesulfinate)
CID 87486582
dichloroplatinum;ethene;1-methyl-4-methylsulfinylbenzene
CID 134900367
1-(difluoromethylsulfinyl)-4-methylbenzene
CID 586872
1-[(R)-ethynylsulfinyl]-4-methylbenzene
CID 11137478
1-[(S)-ethenylsulfinyl]-4-methylbenzene
CID 10487263

Frequently Asked Questions

What is the IUPAC name of (R)-4-methylbenzenesulfinyl chloride?
The IUPAC name of (R)-4-methylbenzenesulfinyl chloride (CID 98048897) is (R)-4-methylbenzenesulfinyl chloride.
What is the SMILES notation for (R)-4-methylbenzenesulfinyl chloride?
The canonical SMILES for (R)-4-methylbenzenesulfinyl chloride is Cc1ccc([S@](=O)Cl)cc1.
What is the InChIKey of (R)-4-methylbenzenesulfinyl chloride?
The InChIKey is DYYLCPSSSFWEEA-JTQLQIEISA-N. The full InChI is InChI=1S/C7H7ClOS/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3/t10-/m0/s1.
What are the key properties of (R)-4-methylbenzenesulfinyl chloride?
(R)-4-methylbenzenesulfinyl chloride has a molecular weight of 174.65 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-4-methylbenzenesulfinyl chloride is sourced from PubChem (CID 98048897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).