8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine

C16H17NOS — CID 141066668

IUPAC8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine
SMILESCOc1cccc2c1Cc1ccc(N(C)C)cc1S2
InChIInChI=1S/C16H17NOS/c1-17(2)12-8-7-11-9-13-14(18-3)5-4-6-15(13)19-16(11)10-12/h4-8,10H,9H2,1-3H3
InChIKeyCAWICRUYFBRBIO-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.82
Rot. Bonds2

About 8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine

8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine (PubChem CID 141066668) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is 8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine.

Molecular Properties

Compound Name8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine
PubChem CID141066668
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine
SMILESCOc1cccc2c1Cc1ccc(N(C)C)cc1S2
InChIInChI=1S/C16H17NOS/c1-17(2)12-8-7-11-9-13-14(18-3)5-4-6-15(13)19-16(11)10-12/h4-8,10H,9H2,1-3H3
InChIKeyCAWICRUYFBRBIO-UHFFFAOYSA-N
XLogP3.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine?
The IUPAC name of 8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine (CID 141066668) is 8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine.
What is the SMILES notation for 8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine?
The canonical SMILES for 8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine is COc1cccc2c1Cc1ccc(N(C)C)cc1S2.
What is the InChIKey of 8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine?
The InChIKey is CAWICRUYFBRBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-17(2)12-8-7-11-9-13-14(18-3)5-4-6-15(13)19-16(11)10-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine?
8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine has a molecular weight of 271.39 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N,N-dimethyl-9H-thioxanthen-3-amine is sourced from PubChem (CID 141066668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).