8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one

C10H10O3S — CID 156871270

IUPAC8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one
SMILESCc1c(OS)ccc2c1OCCC2=O
InChIInChI=1S/C10H10O3S/c1-6-9(13-14)3-2-7-8(11)4-5-12-10(6)7/h2-3,14H,4-5H2,1H3
InChIKeyPGGIHXFTOFROAU-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.18
Rot. Bonds1

About 8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one

8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one (PubChem CID 156871270) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one
PubChem CID156871270
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one
SMILESCc1c(OS)ccc2c1OCCC2=O
InChIInChI=1S/C10H10O3S/c1-6-9(13-14)3-2-7-8(11)4-5-12-10(6)7/h2-3,14H,4-5H2,1H3
InChIKeyPGGIHXFTOFROAU-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-8-methyl-2,3-dihydrochromen-4-one
CID 55297743
7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one
CID 156871495
methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate
CID 175856803
6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one
CID 156871065
5-[(4-chlorophenyl)-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]pyridine-2-carboxamide
CID 156871443
8-(trifluoromethoxy)-2,3-dihydrochromen-4-one
CID 22708350
4-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-(1-oxidopyridin-1-ium-2-yl)methyl]benzonitrile
CID 156870927
4-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-(1-oxidopyridin-1-ium-2-yl)methyl]benzamide
CID 166771523
methyl 4-oxo-2,3-dihydrochromene-8-carboxylate
CID 122362508
8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one
CID 135373685
8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one
CID 135373615
5-amino-8-methoxy-2,3-dihydrochromen-4-one
CID 4228364

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one?
The IUPAC name of 8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one (CID 156871270) is 8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one is Cc1c(OS)ccc2c1OCCC2=O.
What is the InChIKey of 8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one?
The InChIKey is PGGIHXFTOFROAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c1-6-9(13-14)3-2-7-8(11)4-5-12-10(6)7/h2-3,14H,4-5H2,1H3.
What are the key properties of 8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one?
8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one has a molecular weight of 210.25 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 156871270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).