N-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine

C22H14N2S — CID 12609071

IUPACN-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine
SMILESC(=N/c1cc2c3ccccc3sc2c2ccccc12)\c1cccnc1
InChIInChI=1S/C22H14N2S/c1-2-9-18-16(7-1)20(24-14-15-6-5-11-23-13-15)12-19-17-8-3-4-10-21(17)25-22(18)19/h1-14H/b24-14+
InChIKeyFSJLJCBNSOPSPW-ZVHZXABRSA-N
MW338.44 g/mol
LogP6.35
Rot. Bonds2

About N-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine

N-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine (PubChem CID 12609071) has the molecular formula C22H14N2S and a molecular weight of 338.44 g/mol. Its IUPAC name is N-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine
PubChem CID12609071
Molecular FormulaC22H14N2S
Molecular Weight338.44 g/mol
Exact Mass338.09
IUPAC NameN-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine
SMILESC(=N/c1cc2c3ccccc3sc2c2ccccc12)\c1cccnc1
InChIInChI=1S/C22H14N2S/c1-2-9-18-16(7-1)20(24-14-15-6-5-11-23-13-15)12-19-17-8-3-4-10-21(17)25-22(18)19/h1-14H/b24-14+
InChIKeyFSJLJCBNSOPSPW-ZVHZXABRSA-N
XLogP6.35
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.44
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 10060170
CID 10060170
CID 134340568
CID 134340568
CID 273956
CID 273956
CID 122180290
CID 122180290
CID 278923
CID 278923
CID 46228089
CID 46228089
CID 118720485
CID 118720485
CID 168295599
CID 168295599
CID 14022289
CID 14022289
CID 14871970
CID 14871970
CID 367888
CID 367888
CID 371812
CID 371812

Frequently Asked Questions

What is the IUPAC name of N-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine?
The IUPAC name of N-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine (CID 12609071) is N-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine is C(=N/c1cc2c3ccccc3sc2c2ccccc12)\c1cccnc1.
What is the InChIKey of N-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine?
The InChIKey is FSJLJCBNSOPSPW-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H14N2S/c1-2-9-18-16(7-1)20(24-14-15-6-5-11-23-13-15)12-19-17-8-3-4-10-21(17)25-22(18)19/h1-14H/b24-14+.
What are the key properties of N-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine?
N-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine has a molecular weight of 338.44 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[1,2-b][1]benzothiol-5-yl-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 12609071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).