2,3,4,6,7,10-hexahydro-1H-phenothiazine

C12H15NS — CID 140649966

IUPAC2,3,4,6,7,10-hexahydro-1H-phenothiazine
SMILESC1=CC2=C(CC1)SC1=C(CCCC1)N2
InChIInChI=1S/C12H15NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1,5,13H,2-4,6-8H2
InChIKeyKAVIMLMFHBFHRT-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.67
Rot. Bonds

About 2,3,4,6,7,10-hexahydro-1H-phenothiazine

2,3,4,6,7,10-hexahydro-1H-phenothiazine (PubChem CID 140649966) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 2,3,4,6,7,10-hexahydro-1H-phenothiazine.

Molecular Properties

Compound Name2,3,4,6,7,10-hexahydro-1H-phenothiazine
PubChem CID140649966
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name2,3,4,6,7,10-hexahydro-1H-phenothiazine
SMILESC1=CC2=C(CC1)SC1=C(CCCC1)N2
InChIInChI=1S/C12H15NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1,5,13H,2-4,6-8H2
InChIKeyKAVIMLMFHBFHRT-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,10-hexahydro-1H-phenothiazine?
The IUPAC name of 2,3,4,6,7,10-hexahydro-1H-phenothiazine (CID 140649966) is 2,3,4,6,7,10-hexahydro-1H-phenothiazine.
What is the SMILES notation for 2,3,4,6,7,10-hexahydro-1H-phenothiazine?
The canonical SMILES for 2,3,4,6,7,10-hexahydro-1H-phenothiazine is C1=CC2=C(CC1)SC1=C(CCCC1)N2.
What is the InChIKey of 2,3,4,6,7,10-hexahydro-1H-phenothiazine?
The InChIKey is KAVIMLMFHBFHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1,5,13H,2-4,6-8H2.
What are the key properties of 2,3,4,6,7,10-hexahydro-1H-phenothiazine?
2,3,4,6,7,10-hexahydro-1H-phenothiazine has a molecular weight of 205.33 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,10-hexahydro-1H-phenothiazine is sourced from PubChem (CID 140649966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).