1-hydroxysulfanyl-2,4-dimethylbenzene

C8H10OS — CID 117033827

IUPAC1-hydroxysulfanyl-2,4-dimethylbenzene
SMILESCc1ccc(SO)c(C)c1
InChIInChI=1S/C8H10OS/c1-6-3-4-8(10-9)7(2)5-6/h3-5,9H,1-2H3
InChIKeyBDSAYNKPXONFBM-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.87
Rot. Bonds1

About 1-hydroxysulfanyl-2,4-dimethylbenzene

1-hydroxysulfanyl-2,4-dimethylbenzene (PubChem CID 117033827) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 1-hydroxysulfanyl-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-hydroxysulfanyl-2,4-dimethylbenzene
PubChem CID117033827
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name1-hydroxysulfanyl-2,4-dimethylbenzene
SMILESCc1ccc(SO)c(C)c1
InChIInChI=1S/C8H10OS/c1-6-3-4-8(10-9)7(2)5-6/h3-5,9H,1-2H3
InChIKeyBDSAYNKPXONFBM-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-hydroxysulfanyl-2-methylbenzene
CID 175413472
(2,4-dimethylphenyl)sulfanylmethanedithioic acid
CID 21422861
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
2-amino-2-(2,4-dimethylphenyl)sulfanylethanol
CID 117034623
S-(2,4-dimethylphenyl) N,N-dimethylcarbamothioate
CID 23250907
1,4-bis[(2,4-dimethylphenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 57385178
2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
CID 18738941
[4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol
CID 63813831
2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane
CID 143231440
1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene
CID 130670153
acetylene;(2,4-dimethylphenyl)sulfanylmethanamine
CID 142030262
2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene
CID 141285232

Frequently Asked Questions

What is the IUPAC name of 1-hydroxysulfanyl-2,4-dimethylbenzene?
The IUPAC name of 1-hydroxysulfanyl-2,4-dimethylbenzene (CID 117033827) is 1-hydroxysulfanyl-2,4-dimethylbenzene.
What is the SMILES notation for 1-hydroxysulfanyl-2,4-dimethylbenzene?
The canonical SMILES for 1-hydroxysulfanyl-2,4-dimethylbenzene is Cc1ccc(SO)c(C)c1.
What is the InChIKey of 1-hydroxysulfanyl-2,4-dimethylbenzene?
The InChIKey is BDSAYNKPXONFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-6-3-4-8(10-9)7(2)5-6/h3-5,9H,1-2H3.
What are the key properties of 1-hydroxysulfanyl-2,4-dimethylbenzene?
1-hydroxysulfanyl-2,4-dimethylbenzene has a molecular weight of 154.23 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxysulfanyl-2,4-dimethylbenzene is sourced from PubChem (CID 117033827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).