3,7-dimethyl-10H-phenothiazine

C14H13NS — CID 614875

IUPAC3,7-dimethyl-10H-phenothiazine
SMILESCc1ccc2c(c1)Sc1cc(C)ccc1N2
InChIInChI=1S/C14H13NS/c1-9-3-5-11-13(7-9)16-14-8-10(2)4-6-12(14)15-11/h3-8,15H,1-2H3
InChIKeySGMYETCUJUEWJU-UHFFFAOYSA-N
MW227.33 g/mol
LogP4.51
Rot. Bonds

About 3,7-dimethyl-10H-phenothiazine

3,7-dimethyl-10H-phenothiazine (PubChem CID 614875) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3,7-dimethyl-10H-phenothiazine.

Molecular Properties

Compound Name3,7-dimethyl-10H-phenothiazine
PubChem CID614875
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name3,7-dimethyl-10H-phenothiazine
SMILESCc1ccc2c(c1)Sc1cc(C)ccc1N2
InChIInChI=1S/C14H13NS/c1-9-3-5-11-13(7-9)16-14-8-10(2)4-6-12(14)15-11/h3-8,15H,1-2H3
InChIKeySGMYETCUJUEWJU-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenothiazine
CID 7108
2-(trifluoromethyl)-10H-phenothiazine
CID 7082
Phenothiazine-2-carbonitrile
CID 98841
7-Methyl-1,4-benzothiazin-3(4H)-one
CID 689104
3-Fluoro-10H-phenothiazine
CID 242838
N-(4-Methylphenyl)phenothiazine-10-carboxamide
CID 934131
2-ethyl-10H-phenothiazine
CID 98833
2-(1-phenylethyl)-10H-phenothiazine
CID 141531557
3-[1-(10H-phenothiazin-2-yl)ethenyl]aniline
CID 141758660
2-(1-phenylethenyl)-10H-phenothiazine
CID 149546367
10-Benzyl-10H-phenothiazine
CID 94075
7H-Benzo(c)phenothiazine
CID 219986

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-10H-phenothiazine?
The IUPAC name of 3,7-dimethyl-10H-phenothiazine (CID 614875) is 3,7-dimethyl-10H-phenothiazine.
What is the SMILES notation for 3,7-dimethyl-10H-phenothiazine?
The canonical SMILES for 3,7-dimethyl-10H-phenothiazine is Cc1ccc2c(c1)Sc1cc(C)ccc1N2.
What is the InChIKey of 3,7-dimethyl-10H-phenothiazine?
The InChIKey is SGMYETCUJUEWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-9-3-5-11-13(7-9)16-14-8-10(2)4-6-12(14)15-11/h3-8,15H,1-2H3.
What are the key properties of 3,7-dimethyl-10H-phenothiazine?
3,7-dimethyl-10H-phenothiazine has a molecular weight of 227.33 g/mol, XLogP of 4.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-10H-phenothiazine is sourced from PubChem (CID 614875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).