7-chloro-10H-phenothiazine-2-carbonitrile

C13H7ClN2S — CID 15925369

IUPAC7-chloro-10H-phenothiazine-2-carbonitrile
SMILESN#Cc1ccc2c(c1)Nc1ccc(Cl)cc1S2
InChIInChI=1S/C13H7ClN2S/c14-9-2-3-10-13(6-9)17-12-4-1-8(7-15)5-11(12)16-10/h1-6,16H
InChIKeyNXNSXSCGVADGDF-UHFFFAOYSA-N
MW258.73 g/mol
LogP4.42
Rot. Bonds

About 7-chloro-10H-phenothiazine-2-carbonitrile

7-chloro-10H-phenothiazine-2-carbonitrile (PubChem CID 15925369) has the molecular formula C13H7ClN2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 7-chloro-10H-phenothiazine-2-carbonitrile.

Molecular Properties

Compound Name7-chloro-10H-phenothiazine-2-carbonitrile
PubChem CID15925369
Molecular FormulaC13H7ClN2S
Molecular Weight258.73 g/mol
Exact Mass258.00
IUPAC Name7-chloro-10H-phenothiazine-2-carbonitrile
SMILESN#Cc1ccc2c(c1)Nc1ccc(Cl)cc1S2
InChIInChI=1S/C13H7ClN2S/c14-9-2-3-10-13(6-9)17-12-4-1-8(7-15)5-11(12)16-10/h1-6,16H
InChIKeyNXNSXSCGVADGDF-UHFFFAOYSA-N
XLogP4.42
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-dichloro-10H-phenothiazine;hydrochloride
CID 135325177
2-chloro-8-fluoro-10H-phenothiazine
CID 141391219
4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-8-carbonitrile
CID 114827342
1-(7-chloro-3-methyl-4H-1,4-benzothiazin-2-yl)ethanone
CID 11858462
4-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzonitrile
CID 2338594
2,3,7-trichlorothianthrene
CID 102325035
7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile
CID 15925366
7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 154935196
1-(7-chloro-3-ethyl-4H-1,4-benzothiazin-2-yl)propan-1-one
CID 71613379
3-chloro-4-[2-(2,4-dichlorophenyl)ethylamino]benzonitrile
CID 63511428
(2Z)-7-chloro-2-[(4-methoxyanilino)methylidene]-4H-1,4-benzothiazin-3-one
CID 1475240
3-(4-chlorophenyl)-4-fluorobenzonitrile
CID 82115906

Frequently Asked Questions

What is the IUPAC name of 7-chloro-10H-phenothiazine-2-carbonitrile?
The IUPAC name of 7-chloro-10H-phenothiazine-2-carbonitrile (CID 15925369) is 7-chloro-10H-phenothiazine-2-carbonitrile.
What is the SMILES notation for 7-chloro-10H-phenothiazine-2-carbonitrile?
The canonical SMILES for 7-chloro-10H-phenothiazine-2-carbonitrile is N#Cc1ccc2c(c1)Nc1ccc(Cl)cc1S2.
What is the InChIKey of 7-chloro-10H-phenothiazine-2-carbonitrile?
The InChIKey is NXNSXSCGVADGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2S/c14-9-2-3-10-13(6-9)17-12-4-1-8(7-15)5-11(12)16-10/h1-6,16H.
What are the key properties of 7-chloro-10H-phenothiazine-2-carbonitrile?
7-chloro-10H-phenothiazine-2-carbonitrile has a molecular weight of 258.73 g/mol, XLogP of 4.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-10H-phenothiazine-2-carbonitrile is sourced from PubChem (CID 15925369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).