N,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane

C16H23NS2 — CID 144537725

IUPACN,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane
SMILESCC.CC.CNc1c2sccc2c(C)c2ccsc12
InChIInChI=1S/C12H11NS2.2C2H6/c1-7-8-3-5-14-11(8)10(13-2)12-9(7)4-6-15-12;2*1-2/h3-6,13H,1-2H3;2*1-2H3
InChIKeyRKFVXLYWTWULLS-UHFFFAOYSA-N
MW293.50 g/mol
LogP6.52
Rot. Bonds1

About N,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane

N,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane (PubChem CID 144537725) has the molecular formula C16H23NS2 and a molecular weight of 293.50 g/mol. Its IUPAC name is N,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane.

Molecular Properties

Compound NameN,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane
PubChem CID144537725
Molecular FormulaC16H23NS2
Molecular Weight293.50 g/mol
Exact Mass293.13
IUPAC NameN,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane
SMILESCC.CC.CNc1c2sccc2c(C)c2ccsc12
InChIInChI=1S/C12H11NS2.2C2H6/c1-7-8-3-5-14-11(8)10(13-2)12-9(7)4-6-15-12;2*1-2/h3-6,13H,1-2H3;2*1-2H3
InChIKeyRKFVXLYWTWULLS-UHFFFAOYSA-N
XLogP6.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,7-trimethyl-1-benzothiophene
CID 59646225
7-fluoro-4-methyl-1-benzothiophen-5-amine
CID 131029208
4,19-dimethyl-8,15-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene
CID 122606200
7-chloro-5-fluoro-4-methyl-1-benzothiophene
CID 131034041
8-methyl-4-propylthieno[2,3-f][1]benzothiole
CID 123432541
7-bromo-5-chloro-4-methyl-1-benzothiophene
CID 130969844
7-tert-butyl-4,5-dimethyl-1-benzothiophene
CID 134487221
4,7-dimethylthieno[3,2-c]pyridine;ethane
CID 169134734
4-chloro-7-methylthieno[2,3-d]pyridazine
CID 170013375
4,8-dimethyl-2-prop-1-en-2-ylthieno[3,2-f][1]benzofuran
CID 160680307
6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one
CID 134859835
6-iodo-7-methyl-1-benzothiophen-4-amine
CID 130870594

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane?
The IUPAC name of N,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane (CID 144537725) is N,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane.
What is the SMILES notation for N,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane?
The canonical SMILES for N,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane is CC.CC.CNc1c2sccc2c(C)c2ccsc12.
What is the InChIKey of N,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane?
The InChIKey is RKFVXLYWTWULLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS2.2C2H6/c1-7-8-3-5-14-11(8)10(13-2)12-9(7)4-6-15-12;2*1-2/h3-6,13H,1-2H3;2*1-2H3.
What are the key properties of N,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane?
N,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane has a molecular weight of 293.50 g/mol, XLogP of 6.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylthieno[3,2-f][1]benzothiol-8-amine;ethane is sourced from PubChem (CID 144537725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).