3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one

C19H24N2OS — CID 129147624

IUPAC3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one
SMILESCN(C)c1ccc2c(c1)S(C)(C)c1cc(N(C)C)ccc1C2=O
InChIInChI=1S/C19H24N2OS/c1-20(2)13-7-9-15-17(11-13)23(5,6)18-12-14(21(3)4)8-10-16(18)19(15)22/h7-12H,1-6H3
InChIKeyMRCDFISHJCXFCV-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.85
Rot. Bonds2

About 3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one

3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one (PubChem CID 129147624) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one.

Molecular Properties

Compound Name3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one
PubChem CID129147624
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one
SMILESCN(C)c1ccc2c(c1)S(C)(C)c1cc(N(C)C)ccc1C2=O
InChIInChI=1S/C19H24N2OS/c1-20(2)13-7-9-15-17(11-13)23(5,6)18-12-14(21(3)4)8-10-16(18)19(15)22/h7-12H,1-6H3
InChIKeyMRCDFISHJCXFCV-UHFFFAOYSA-N
XLogP3.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one?
The IUPAC name of 3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one (CID 129147624) is 3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one.
What is the SMILES notation for 3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one?
The canonical SMILES for 3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one is CN(C)c1ccc2c(c1)S(C)(C)c1cc(N(C)C)ccc1C2=O.
What is the InChIKey of 3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one?
The InChIKey is MRCDFISHJCXFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-20(2)13-7-9-15-17(11-13)23(5,6)18-12-14(21(3)4)8-10-16(18)19(15)22/h7-12H,1-6H3.
What are the key properties of 3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one?
3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one has a molecular weight of 328.48 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(dimethylamino)-10,10-dimethylthioxanthen-9-one is sourced from PubChem (CID 129147624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).