6-methoxy-2-(4-methylphenyl)chromene-4-thione

C17H14O2S — CID 100960680

IUPAC6-methoxy-2-(4-methylphenyl)chromene-4-thione
SMILESCOc1ccc2oc(-c3ccc(C)cc3)cc(=S)c2c1
InChIInChI=1S/C17H14O2S/c1-11-3-5-12(6-4-11)16-10-17(20)14-9-13(18-2)7-8-15(14)19-16/h3-10H,1-2H3
InChIKeyYHZAAGCXNZDSCV-UHFFFAOYSA-N
MW282.36 g/mol
LogP5.15
Rot. Bonds2

About 6-methoxy-2-(4-methylphenyl)chromene-4-thione

6-methoxy-2-(4-methylphenyl)chromene-4-thione (PubChem CID 100960680) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 6-methoxy-2-(4-methylphenyl)chromene-4-thione.

Molecular Properties

Compound Name6-methoxy-2-(4-methylphenyl)chromene-4-thione
PubChem CID100960680
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name6-methoxy-2-(4-methylphenyl)chromene-4-thione
SMILESCOc1ccc2oc(-c3ccc(C)cc3)cc(=S)c2c1
InChIInChI=1S/C17H14O2S/c1-11-3-5-12(6-4-11)16-10-17(20)14-9-13(18-2)7-8-15(14)19-16/h3-10H,1-2H3
InChIKeyYHZAAGCXNZDSCV-UHFFFAOYSA-N
XLogP5.15
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.36
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-7-methoxychromene-4-thione
CID 46232007
2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
CID 166633270
6-methoxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dithione
CID 71591743
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
2-methoxy-7-methyldibenzofuran
CID 122387372
7,19-bis(4-methylphenyl)-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58410888
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
(2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium
CID 3557993
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
CID 108811249
[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
CID 1181688

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methylphenyl)chromene-4-thione?
The IUPAC name of 6-methoxy-2-(4-methylphenyl)chromene-4-thione (CID 100960680) is 6-methoxy-2-(4-methylphenyl)chromene-4-thione.
What is the SMILES notation for 6-methoxy-2-(4-methylphenyl)chromene-4-thione?
The canonical SMILES for 6-methoxy-2-(4-methylphenyl)chromene-4-thione is COc1ccc2oc(-c3ccc(C)cc3)cc(=S)c2c1.
What is the InChIKey of 6-methoxy-2-(4-methylphenyl)chromene-4-thione?
The InChIKey is YHZAAGCXNZDSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-11-3-5-12(6-4-11)16-10-17(20)14-9-13(18-2)7-8-15(14)19-16/h3-10H,1-2H3.
What are the key properties of 6-methoxy-2-(4-methylphenyl)chromene-4-thione?
6-methoxy-2-(4-methylphenyl)chromene-4-thione has a molecular weight of 282.36 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methylphenyl)chromene-4-thione is sourced from PubChem (CID 100960680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).