(3,4-dimethylphenyl) thiohypochlorite

C8H9ClS — CID 117036068

IUPAC(3,4-dimethylphenyl) thiohypochlorite
SMILESCc1ccc(SCl)cc1C
InChIInChI=1S/C8H9ClS/c1-6-3-4-8(10-9)5-7(6)2/h3-5H,1-2H3
InChIKeyOBPBQUUMILMISD-UHFFFAOYSA-N
MW172.68 g/mol
LogP3.55
Rot. Bonds1

About (3,4-dimethylphenyl) thiohypochlorite

(3,4-dimethylphenyl) thiohypochlorite (PubChem CID 117036068) has the molecular formula C8H9ClS and a molecular weight of 172.68 g/mol. Its IUPAC name is (3,4-dimethylphenyl) thiohypochlorite.

Molecular Properties

Compound Name(3,4-dimethylphenyl) thiohypochlorite
PubChem CID117036068
Molecular FormulaC8H9ClS
Molecular Weight172.68 g/mol
Exact Mass172.01
IUPAC Name(3,4-dimethylphenyl) thiohypochlorite
SMILESCc1ccc(SCl)cc1C
InChIInChI=1S/C8H9ClS/c1-6-3-4-8(10-9)5-7(6)2/h3-5H,1-2H3
InChIKeyOBPBQUUMILMISD-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.68
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene
CID 135192592
1,2-dimethyl-4-(trifluoromethylsulfanyl)benzene;ethane
CID 143144581
1,2-dimethyl-4-propylsulfanylbenzene
CID 130694880
(3,4-dichlorophenyl) thiohypochlorite
CID 12878540
1,2-dimethyl-4-(2-phenylsulfanylethylsulfanyl)benzene
CID 79326651
1,2-dimethyl-4-prop-2-ynylsulfanylbenzene
CID 60643814
4-but-2-ynylsulfanyl-1,2-dimethylbenzene
CID 131154465
[4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528941
1,2-dimethyl-4-(nitromethylsulfanyl)benzene
CID 130662766
2-amino-2-(3,4-dimethylphenyl)sulfanylethanol
CID 117034622
2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline
CID 113458839
1,2,4-trimethylbenzene
CID 7247

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl) thiohypochlorite?
The IUPAC name of (3,4-dimethylphenyl) thiohypochlorite (CID 117036068) is (3,4-dimethylphenyl) thiohypochlorite.
What is the SMILES notation for (3,4-dimethylphenyl) thiohypochlorite?
The canonical SMILES for (3,4-dimethylphenyl) thiohypochlorite is Cc1ccc(SCl)cc1C.
What is the InChIKey of (3,4-dimethylphenyl) thiohypochlorite?
The InChIKey is OBPBQUUMILMISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClS/c1-6-3-4-8(10-9)5-7(6)2/h3-5H,1-2H3.
What are the key properties of (3,4-dimethylphenyl) thiohypochlorite?
(3,4-dimethylphenyl) thiohypochlorite has a molecular weight of 172.68 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl) thiohypochlorite is sourced from PubChem (CID 117036068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).