Structure

2-Methylthiophenothiazine

CAS
7643-08-5
Catalog Number
ACM7643085
Category
Micro/NanoElectronics
Molecular Weight
245.4g/mol
Molecular Formula
C13H11NS2

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Specification

Synonyms
2-(methylthio)-10h-phenothiazin;2-METHYLMERCAPTO PHENOTHIAZINE;2-METHYLSULFANYL-10H-PHENOTHIAZINE;2-METHYLTHIOPHENOTHIAZINE;10H-Phenothiazine, 2-(methylthio)-;Einecs 231-581-0;3-(Methylthio)phenothiazine
IUPAC Name
2-methylsulfanyl-10H-phenothiazine
Canonical SMILES
CSC1=CC2=C(C=C1)SC3=CC=CC=C3N2
InChI
InChI=1S/C13H11NS2/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
InChI Key
OBVKBOLDEFIQDP-UHFFFAOYSA-N
Complexity
246
Covalently-Bonded Unit Count
1
EC Number
231-581-0
Exact Mass
245.033292g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
16
Monoisotopic Mass
245.033292g/mol
Rotatable Bond Count
1
XLogP3
4.7
What is the molecular formula of 2-Methylthiophenothiazine?

The molecular formula of 2-Methylthiophenothiazine is C13H11NS2.

What is the molecular weight of 2-Methylthiophenothiazine?

The molecular weight of 2-Methylthiophenothiazine is 245.4 g/mol.

What is the IUPAC name of 2-Methylthiophenothiazine?

The IUPAC name of 2-Methylthiophenothiazine is 2-methylsulfanyl-10H-phenothiazine.

What is the InChI of 2-Methylthiophenothiazine?

The InChI of 2-Methylthiophenothiazine is InChI=1S/C13H11NS2/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3.

What is the InChIKey of 2-Methylthiophenothiazine?

The InChIKey of 2-Methylthiophenothiazine is OBVKBOLDEFIQDP-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Methylthiophenothiazine?

The canonical SMILES of 2-Methylthiophenothiazine is CSC1=CC2=C(C=C1)SC3=CC=CC=C3N2.

What is the CAS number of 2-Methylthiophenothiazine?

The CAS number of 2-Methylthiophenothiazine is 7643-08-5.

What is the XLogP3 value of 2-Methylthiophenothiazine?

The XLogP3 value of 2-Methylthiophenothiazine is 4.7.

How many hydrogen bond donor counts does 2-Methylthiophenothiazine have?

2-Methylthiophenothiazine has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 2-Methylthiophenothiazine have?

2-Methylthiophenothiazine has 3 hydrogen bond acceptor counts.

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