10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine

C19H23NS2 — CID 167079760

IUPAC10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine
SMILESCC(C)Sc1ccc2c(c1)Sc1cc(C(C)C)ccc1N2C
InChIInChI=1S/C19H23NS2/c1-12(2)14-6-8-16-18(10-14)22-19-11-15(21-13(3)4)7-9-17(19)20(16)5/h6-13H,1-5H3
InChIKeyHDMUWBJENAYNOO-UHFFFAOYSA-N
MW329.53 g/mol
LogP6.54
Rot. Bonds3

About 10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine

10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine (PubChem CID 167079760) has the molecular formula C19H23NS2 and a molecular weight of 329.53 g/mol. Its IUPAC name is 10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine.

Molecular Properties

Compound Name10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine
PubChem CID167079760
Molecular FormulaC19H23NS2
Molecular Weight329.53 g/mol
Exact Mass329.13
IUPAC Name10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine
SMILESCC(C)Sc1ccc2c(c1)Sc1cc(C(C)C)ccc1N2C
InChIInChI=1S/C19H23NS2/c1-12(2)14-6-8-16-18(10-14)22-19-11-15(21-13(3)4)7-9-17(19)20(16)5/h6-13H,1-5H3
InChIKeyHDMUWBJENAYNOO-UHFFFAOYSA-N
XLogP6.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine?
The IUPAC name of 10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine (CID 167079760) is 10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine.
What is the SMILES notation for 10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine?
The canonical SMILES for 10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine is CC(C)Sc1ccc2c(c1)Sc1cc(C(C)C)ccc1N2C.
What is the InChIKey of 10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine?
The InChIKey is HDMUWBJENAYNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS2/c1-12(2)14-6-8-16-18(10-14)22-19-11-15(21-13(3)4)7-9-17(19)20(16)5/h6-13H,1-5H3.
What are the key properties of 10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine?
10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine has a molecular weight of 329.53 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine is sourced from PubChem (CID 167079760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).