trihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane

C9H14O3S — CID 90820463

IUPACtrihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane
SMILESCc1cc(C)c(S(O)(O)O)c(C)c1
InChIInChI=1S/C9H14O3S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5,10-12H,1-3H3
InChIKeyYYFAEQOXSHGWQG-UHFFFAOYSA-N
MW202.27 g/mol
LogP3.19
Rot. Bonds1

About trihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane

trihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane (PubChem CID 90820463) has the molecular formula C9H14O3S and a molecular weight of 202.27 g/mol. Its IUPAC name is trihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane.

Molecular Properties

Compound Nametrihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane
PubChem CID90820463
Molecular FormulaC9H14O3S
Molecular Weight202.27 g/mol
Exact Mass202.07
IUPAC Nametrihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane
SMILESCc1cc(C)c(S(O)(O)O)c(C)c1
InChIInChI=1S/C9H14O3S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5,10-12H,1-3H3
InChIKeyYYFAEQOXSHGWQG-UHFFFAOYSA-N
XLogP3.19
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4,6-trimethylphenyl)sulfonylethanol
CID 116852753
2-tert-butylsulfonyl-1,3,5-trimethylbenzene
CID 4069856
1,3,5-trimethyl-2-methylsulfonylbenzene
CID 577272
1-(2,4,6-trimethylphenyl)sulfonylpropan-2-one
CID 28753715
N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 65112843
amino 2,4,6-trimethylbenzenesulfonate
CID 11830845
2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol
CID 117037386
(2,4,6-trimethylphenyl)sulfonyl ethaneperoxoate
CID 154216478
2,4,6-trimethylbenzene-1,3-disulfonic acid
CID 14040846
2-(2,4,6-trimethylphenyl)sulfonylpropan-2-amine
CID 117036213
hydroxy-(2,4,6-trimethylphenyl)methanesulfonic acid
CID 103574351
N-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide
CID 11141222

Frequently Asked Questions

What is the IUPAC name of trihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane?
The IUPAC name of trihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane (CID 90820463) is trihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane.
What is the SMILES notation for trihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane?
The canonical SMILES for trihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane is Cc1cc(C)c(S(O)(O)O)c(C)c1.
What is the InChIKey of trihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane?
The InChIKey is YYFAEQOXSHGWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5,10-12H,1-3H3.
What are the key properties of trihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane?
trihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane has a molecular weight of 202.27 g/mol, XLogP of 3.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane is sourced from PubChem (CID 90820463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).