naphtho[2,1-b][1]benzothiole-8,9-diamine

C16H12N2S — CID 138493784

IUPACnaphtho[2,1-b][1]benzothiole-8,9-diamine
SMILESNc1ccc2c(sc3ccc4ccccc4c32)c1N
InChIInChI=1S/C16H12N2S/c17-12-7-6-11-14-10-4-2-1-3-9(10)5-8-13(14)19-16(11)15(12)18/h1-8H,17-18H2
InChIKeyZAPWALPLLNMTIU-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.37
Rot. Bonds

About naphtho[2,1-b][1]benzothiole-8,9-diamine

naphtho[2,1-b][1]benzothiole-8,9-diamine (PubChem CID 138493784) has the molecular formula C16H12N2S and a molecular weight of 264.35 g/mol. Its IUPAC name is naphtho[2,1-b][1]benzothiole-8,9-diamine.

Molecular Properties

Compound Namenaphtho[2,1-b][1]benzothiole-8,9-diamine
PubChem CID138493784
Molecular FormulaC16H12N2S
Molecular Weight264.35 g/mol
Exact Mass264.07
IUPAC Namenaphtho[2,1-b][1]benzothiole-8,9-diamine
SMILESNc1ccc2c(sc3ccc4ccccc4c32)c1N
InChIInChI=1S/C16H12N2S/c17-12-7-6-11-14-10-4-2-1-3-9(10)5-8-13(14)19-16(11)15(12)18/h1-8H,17-18H2
InChIKeyZAPWALPLLNMTIU-UHFFFAOYSA-N
XLogP4.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

16-thiaheptacyclo[15.12.0.02,15.03,12.04,9.018,27.019,24]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18(27),19,21,23,25,28-tetradecaene
CID 175478801
4,4,5,5-tetramethyl-2-naphtho[2,1-b][1]benzothiol-8-yl-1,3,2-dioxaborolane
CID 140783596
8-(phenanthren-2-ylmethyl)naphtho[2,1-b][1]benzothiole
CID 139338722
11-chloronaphtho[2,1-b][1]benzothiole
CID 166503443
9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 13284338
(10-phenylnaphtho[2,1-b][1]benzothiol-8-yl)boronic acid
CID 164799797
CID 158144962
CID 158144962
8-(3-methylphenyl)naphtho[2,1-b][1]benzothiole
CID 166880433
10-(3-triphenylen-2-ylphenyl)naphtho[2,1-b][1]benzothiole
CID 155401269
9-propan-2-ylnaphtho[2,1-b][1]benzothiole
CID 71126581
5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130190952
19-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
CID 130190907

Frequently Asked Questions

What is the IUPAC name of naphtho[2,1-b][1]benzothiole-8,9-diamine?
The IUPAC name of naphtho[2,1-b][1]benzothiole-8,9-diamine (CID 138493784) is naphtho[2,1-b][1]benzothiole-8,9-diamine.
What is the SMILES notation for naphtho[2,1-b][1]benzothiole-8,9-diamine?
The canonical SMILES for naphtho[2,1-b][1]benzothiole-8,9-diamine is Nc1ccc2c(sc3ccc4ccccc4c32)c1N.
What is the InChIKey of naphtho[2,1-b][1]benzothiole-8,9-diamine?
The InChIKey is ZAPWALPLLNMTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S/c17-12-7-6-11-14-10-4-2-1-3-9(10)5-8-13(14)19-16(11)15(12)18/h1-8H,17-18H2.
What are the key properties of naphtho[2,1-b][1]benzothiole-8,9-diamine?
naphtho[2,1-b][1]benzothiole-8,9-diamine has a molecular weight of 264.35 g/mol, XLogP of 4.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,1-b][1]benzothiole-8,9-diamine is sourced from PubChem (CID 138493784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).