2,3-dihydrodibenzothiophen-4-amine

C12H11NS — CID 145360943

IUPAC2,3-dihydrodibenzothiophen-4-amine
SMILESNC1=c2sc3ccccc3c2=CCC1
InChIInChI=1S/C12H11NS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-2,4-5,7H,3,6,13H2
InChIKeyZDMYLHUVJRGGJW-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.54
Rot. Bonds

About 2,3-dihydrodibenzothiophen-4-amine

2,3-dihydrodibenzothiophen-4-amine (PubChem CID 145360943) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2,3-dihydrodibenzothiophen-4-amine.

Molecular Properties

Compound Name2,3-dihydrodibenzothiophen-4-amine
PubChem CID145360943
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name2,3-dihydrodibenzothiophen-4-amine
SMILESNC1=c2sc3ccccc3c2=CCC1
InChIInChI=1S/C12H11NS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-2,4-5,7H,3,6,13H2
InChIKeyZDMYLHUVJRGGJW-UHFFFAOYSA-N
XLogP1.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2,3-dihydrodibenzothiophen-4-amine
CID 174307134
(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
2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 142615088
2,3-dihydroanthracen-1-amine
CID 91284277
7-bromo-4-chloro-2,3-dihydrodibenzothiophene
CID 170204754
(2E)-1-dibenzothiophen-4-yl-2-(1-dibenzothiophen-4-yl-3-dibenzothiophen-4-ylimidazolidin-2-ylidene)-3-(2,3-dihydrodibenzothiophen-4-yl)imidazolidine
CID 134437186
dibenzothiophene;methane
CID 162233710
10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine
CID 176816066
(13E)-13-methyl-3,24-dithiapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(17),2(10),4,6,8,13,18,20,22-nonaene
CID 177433786
4-methyl-6-phenyl-2,3-dihydrodibenzothiophene
CID 149377326
3-amino-1-benzothiophene-2-carbonitrile
CID 821951
bis(dibenzothiophene);ethane
CID 143921746

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrodibenzothiophen-4-amine?
The IUPAC name of 2,3-dihydrodibenzothiophen-4-amine (CID 145360943) is 2,3-dihydrodibenzothiophen-4-amine.
What is the SMILES notation for 2,3-dihydrodibenzothiophen-4-amine?
The canonical SMILES for 2,3-dihydrodibenzothiophen-4-amine is NC1=c2sc3ccccc3c2=CCC1.
What is the InChIKey of 2,3-dihydrodibenzothiophen-4-amine?
The InChIKey is ZDMYLHUVJRGGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-2,4-5,7H,3,6,13H2.
What are the key properties of 2,3-dihydrodibenzothiophen-4-amine?
2,3-dihydrodibenzothiophen-4-amine has a molecular weight of 201.29 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrodibenzothiophen-4-amine is sourced from PubChem (CID 145360943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).