2-methyl-2,3-dihydrodibenzothiophen-4-amine

C13H13NS — CID 174307134

IUPAC2-methyl-2,3-dihydrodibenzothiophen-4-amine
SMILESCC1C=c2c(sc3ccccc23)=C(N)C1
InChIInChI=1S/C13H13NS/c1-8-6-10-9-4-2-3-5-12(9)15-13(10)11(14)7-8/h2-6,8H,7,14H2,1H3
InChIKeyPSZRVWUCWKHNFO-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.79
Rot. Bonds

About 2-methyl-2,3-dihydrodibenzothiophen-4-amine

2-methyl-2,3-dihydrodibenzothiophen-4-amine (PubChem CID 174307134) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-methyl-2,3-dihydrodibenzothiophen-4-amine.

Molecular Properties

Compound Name2-methyl-2,3-dihydrodibenzothiophen-4-amine
PubChem CID174307134
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name2-methyl-2,3-dihydrodibenzothiophen-4-amine
SMILESCC1C=c2c(sc3ccccc23)=C(N)C1
InChIInChI=1S/C13H13NS/c1-8-6-10-9-4-2-3-5-12(9)15-13(10)11(14)7-8/h2-6,8H,7,14H2,1H3
InChIKeyPSZRVWUCWKHNFO-UHFFFAOYSA-N
XLogP1.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydrodibenzothiophen-4-amine
CID 145360943
(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene
CID 15554848
bis(dibenzothiophene);ethane
CID 143921746
2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole
CID 141137697
4-methyl-2,3,4,5-tetrahydro-1H-[1]benzothiolo[2,3-d]azepine
CID 164872463
4-bromo-1-methyl-1,2,3,4-tetrahydrodibenzothiophene
CID 115418076
dibenzothiophene;methane
CID 162233710
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
2-bromo-3-methyl-3,4-dihydrodibenzothiophene
CID 146554864
ethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
CID 171099983
3-amino-1-benzothiophene-2-carbonitrile
CID 821951
1-methyldibenzothiophene
CID 23839

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydrodibenzothiophen-4-amine?
The IUPAC name of 2-methyl-2,3-dihydrodibenzothiophen-4-amine (CID 174307134) is 2-methyl-2,3-dihydrodibenzothiophen-4-amine.
What is the SMILES notation for 2-methyl-2,3-dihydrodibenzothiophen-4-amine?
The canonical SMILES for 2-methyl-2,3-dihydrodibenzothiophen-4-amine is CC1C=c2c(sc3ccccc23)=C(N)C1.
What is the InChIKey of 2-methyl-2,3-dihydrodibenzothiophen-4-amine?
The InChIKey is PSZRVWUCWKHNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c1-8-6-10-9-4-2-3-5-12(9)15-13(10)11(14)7-8/h2-6,8H,7,14H2,1H3.
What are the key properties of 2-methyl-2,3-dihydrodibenzothiophen-4-amine?
2-methyl-2,3-dihydrodibenzothiophen-4-amine has a molecular weight of 215.32 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydrodibenzothiophen-4-amine is sourced from PubChem (CID 174307134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).