9,10-bis(methylsulfanylmethoxy)anthracene

C18H18O2S2 — CID 139902010

IUPAC9,10-bis(methylsulfanylmethoxy)anthracene
SMILESCSCOc1c2ccccc2c(OCSC)c2ccccc12
InChIInChI=1S/C18H18O2S2/c1-21-11-19-17-13-7-3-5-9-15(13)18(20-12-22-2)16-10-6-4-8-14(16)17/h3-10H,11-12H2,1-2H3
InChIKeyKAIPJFMTBBZFLL-UHFFFAOYSA-N
MW330.47 g/mol
LogP5.39
Rot. Bonds6

About 9,10-bis(methylsulfanylmethoxy)anthracene

9,10-bis(methylsulfanylmethoxy)anthracene (PubChem CID 139902010) has the molecular formula C18H18O2S2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 9,10-bis(methylsulfanylmethoxy)anthracene.

Molecular Properties

Compound Name9,10-bis(methylsulfanylmethoxy)anthracene
PubChem CID139902010
Molecular FormulaC18H18O2S2
Molecular Weight330.47 g/mol
Exact Mass330.07
IUPAC Name9,10-bis(methylsulfanylmethoxy)anthracene
SMILESCSCOc1c2ccccc2c(OCSC)c2ccccc12
InChIInChI=1S/C18H18O2S2/c1-21-11-19-17-13-7-3-5-9-15(13)18(20-12-22-2)16-10-6-4-8-14(16)17/h3-10H,11-12H2,1-2H3
InChIKeyKAIPJFMTBBZFLL-UHFFFAOYSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9,10-bis(methylsulfanylmethoxy)anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylsulfanylmethoxy)aniline
CID 71337574
9,10-bis(methoxymethoxy)anthracene
CID 150706504
2-ethyl-9,10-bis(ethylsulfanylmethoxy)anthracene
CID 139902073
9,10-bis(2-ethylsulfanylethoxy)anthracene
CID 139902048
2-ethyl-9,10-bis(propylsulfanylmethoxy)anthracene
CID 139902124
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
9,10-dioctoxyanthracene
CID 21304201
cis-(1S,2S)-2-[2-(methylsulfanylmethoxy)naphthalen-1-yl]cyclohexan-1-ol
CID 139705915
[4-(9,10-diethoxyanthracen-2-yl)sulfanylphenyl]-diphenylsulfanium
CID 140600608
9,10-bis(6-ethylsulfanylhexoxy)anthracene
CID 139902059
9,10-bis(2-phenylmethoxyethoxy)anthracene
CID 139845395
9,10-bis(3-hexylsulfanylpropoxy)anthracene
CID 139901998

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(methylsulfanylmethoxy)anthracene?
The IUPAC name of 9,10-bis(methylsulfanylmethoxy)anthracene (CID 139902010) is 9,10-bis(methylsulfanylmethoxy)anthracene.
What is the SMILES notation for 9,10-bis(methylsulfanylmethoxy)anthracene?
The canonical SMILES for 9,10-bis(methylsulfanylmethoxy)anthracene is CSCOc1c2ccccc2c(OCSC)c2ccccc12.
What is the InChIKey of 9,10-bis(methylsulfanylmethoxy)anthracene?
The InChIKey is KAIPJFMTBBZFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S2/c1-21-11-19-17-13-7-3-5-9-15(13)18(20-12-22-2)16-10-6-4-8-14(16)17/h3-10H,11-12H2,1-2H3.
What are the key properties of 9,10-bis(methylsulfanylmethoxy)anthracene?
9,10-bis(methylsulfanylmethoxy)anthracene has a molecular weight of 330.47 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(methylsulfanylmethoxy)anthracene is sourced from PubChem (CID 139902010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).