(2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone

C14H12O2S2 — CID 144572641

IUPAC(2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(S)cc2O)c(S)c1
InChIInChI=1S/C14H12O2S2/c1-8-2-4-11(13(18)6-8)14(16)10-5-3-9(17)7-12(10)15/h2-7,15,17-18H,1H3
InChIKeyBYGKLIXBYMCRJC-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.51
Rot. Bonds2

About (2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone

(2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone (PubChem CID 144572641) has the molecular formula C14H12O2S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone.

Molecular Properties

Compound Name(2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone
PubChem CID144572641
Molecular FormulaC14H12O2S2
Molecular Weight276.38 g/mol
Exact Mass276.03
IUPAC Name(2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(S)cc2O)c(S)c1
InChIInChI=1S/C14H12O2S2/c1-8-2-4-11(13(18)6-8)14(16)10-5-3-9(17)7-12(10)15/h2-7,15,17-18H,1H3
InChIKeyBYGKLIXBYMCRJC-UHFFFAOYSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
4-methyl-2-sulfanylbenzamide
CID 89156088
N,N,4-trimethyl-2-sulfanylbenzamide
CID 19856182
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone
CID 68538226
amino 2-hydroxy-4-methylbenzoate
CID 174368722
bis(4-fluoro-2-hydroxyphenyl)methanone
CID 125469613
4-methyl-2-sulfanylbenzenecarboximidamide
CID 142196477
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 79039969
3-amino-1-(2-hydroxy-4-methylphenyl)propan-1-one
CID 82600154
3-(2-hydroxy-4-methylphenyl)but-2-enoic acid
CID 130606734
acetic acid;4-methylbenzenethiol
CID 70542625

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone?
The IUPAC name of (2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone (CID 144572641) is (2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone.
What is the SMILES notation for (2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone?
The canonical SMILES for (2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone is Cc1ccc(C(=O)c2ccc(S)cc2O)c(S)c1.
What is the InChIKey of (2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone?
The InChIKey is BYGKLIXBYMCRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S2/c1-8-2-4-11(13(18)6-8)14(16)10-5-3-9(17)7-12(10)15/h2-7,15,17-18H,1H3.
What are the key properties of (2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone?
(2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone is sourced from PubChem (CID 144572641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).