[1]benzothiolo[6,5-f][1]benzothiol-7-amine

C14H9NS2 — CID 129178000

IUPAC[1]benzothiolo[6,5-f][1]benzothiol-7-amine
SMILESNc1cc2cc3cc4sccc4cc3cc2s1
InChIInChI=1S/C14H9NS2/c15-14-7-11-4-10-5-12-8(1-2-16-12)3-9(10)6-13(11)17-14/h1-7H,15H2
InChIKeyWZBAZUFWKODSIL-UHFFFAOYSA-N
MW255.37 g/mol
LogP4.85
Rot. Bonds

About [1]benzothiolo[6,5-f][1]benzothiol-7-amine

[1]benzothiolo[6,5-f][1]benzothiol-7-amine (PubChem CID 129178000) has the molecular formula C14H9NS2 and a molecular weight of 255.37 g/mol. Its IUPAC name is [1]benzothiolo[6,5-f][1]benzothiol-7-amine.

Molecular Properties

Compound Name[1]benzothiolo[6,5-f][1]benzothiol-7-amine
PubChem CID129178000
Molecular FormulaC14H9NS2
Molecular Weight255.37 g/mol
Exact Mass255.02
IUPAC Name[1]benzothiolo[6,5-f][1]benzothiol-7-amine
SMILESNc1cc2cc3cc4sccc4cc3cc2s1
InChIInChI=1S/C14H9NS2/c15-14-7-11-4-10-5-12-8(1-2-16-12)3-9(10)6-13(11)17-14/h1-7H,15H2
InChIKeyWZBAZUFWKODSIL-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-amine;hydrochloride
CID 66906726
7-[6-([1]benzothiolo[6,5-f][1]benzothiol-7-yl)-1,5-difluoronaphthalen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole
CID 170275144
2-thiophen-2-ylthieno[2,3-f][1]benzothiole
CID 25213369
2,7-bis[4-(1-benzothiophen-5-yl)phenyl]-[1]benzothiolo[6,5-f][1]benzothiole
CID 167099920
thieno[3,2-f][2]benzofuran
CID 121459085
2-propan-2-ylthieno[3,2-f][1]benzothiole
CID 138612702
6-fluoro-1-benzothiophen-2-amine
CID 82597319
7H-thieno[3,2-f]indol-2-amine
CID 69035471
1-benzothiophene-2,5-diamine
CID 89101949
6,12,21,27-tetrathiaoctacyclo[14.14.0.02,13.03,11.05,9.017,28.018,26.020,24]triaconta-1(16),2(13),3(11),4,7,9,14,17(28),18(26),19,22,24,29-tridecaene
CID 123469850
2-benzo[f][1]benzothiol-7-yl-1H-benzo[f]indole
CID 166711506
7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaene
CID 58410823

Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[6,5-f][1]benzothiol-7-amine?
The IUPAC name of [1]benzothiolo[6,5-f][1]benzothiol-7-amine (CID 129178000) is [1]benzothiolo[6,5-f][1]benzothiol-7-amine.
What is the SMILES notation for [1]benzothiolo[6,5-f][1]benzothiol-7-amine?
The canonical SMILES for [1]benzothiolo[6,5-f][1]benzothiol-7-amine is Nc1cc2cc3cc4sccc4cc3cc2s1.
What is the InChIKey of [1]benzothiolo[6,5-f][1]benzothiol-7-amine?
The InChIKey is WZBAZUFWKODSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NS2/c15-14-7-11-4-10-5-12-8(1-2-16-12)3-9(10)6-13(11)17-14/h1-7H,15H2.
What are the key properties of [1]benzothiolo[6,5-f][1]benzothiol-7-amine?
[1]benzothiolo[6,5-f][1]benzothiol-7-amine has a molecular weight of 255.37 g/mol, XLogP of 4.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[6,5-f][1]benzothiol-7-amine is sourced from PubChem (CID 129178000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).