N-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine

C10H8N2S — CID 146181845

IUPACN-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine
SMILESC=Nc1sc2ccccc2c1N=C
InChIInChI=1S/C10H8N2S/c1-11-9-7-5-3-4-6-8(7)13-10(9)12-2/h3-6H,1-2H2
InChIKeyLWXCKGKQZBVDJR-UHFFFAOYSA-N
MW188.25 g/mol
LogP3.57
Rot. Bonds2

About N-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine

N-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine (PubChem CID 146181845) has the molecular formula C10H8N2S and a molecular weight of 188.25 g/mol. Its IUPAC name is N-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine.

Molecular Properties

Compound NameN-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine
PubChem CID146181845
Molecular FormulaC10H8N2S
Molecular Weight188.25 g/mol
Exact Mass188.04
IUPAC NameN-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine
SMILESC=Nc1sc2ccccc2c1N=C
InChIInChI=1S/C10H8N2S/c1-11-9-7-5-3-4-6-8(7)13-10(9)12-2/h3-6H,1-2H2
InChIKeyLWXCKGKQZBVDJR-UHFFFAOYSA-N
XLogP3.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 53.57
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

bis(dibenzothiophene);ethane
CID 143921746
dibenzothiophene;formaldehyde
CID 20556925
dibenzothiophene;methane
CID 162233710
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
(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-methylphenyl)diazenyl]-1-benzothiophen-3-ol
CID 916163
[1]benzothiolo[2,3-b][1]benzothiole
CID 683562
1-methyldibenzothiophene
CID 23839
N-[10-(methylideneamino)-7-(8-phenanthro[9,10-b]pyrazin-6-yldibenzothiophen-2-yl)phenanthren-9-yl]ethanimine
CID 134233375
ethene;picene
CID 175286520
10-thiaheptacyclo[15.12.0.02,14.03,11.04,9.018,23.024,29]nonacosa-1(17),2(14),3(11),4,6,8,12,15,18,20,22,24,26,28-tetradecaene
CID 13409695
3-fluoro-2-prop-1-en-2-yl-1-benzothiophene
CID 143520317

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine?
The IUPAC name of N-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine (CID 146181845) is N-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine.
What is the SMILES notation for N-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine?
The canonical SMILES for N-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine is C=Nc1sc2ccccc2c1N=C.
What is the InChIKey of N-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine?
The InChIKey is LWXCKGKQZBVDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S/c1-11-9-7-5-3-4-6-8(7)13-10(9)12-2/h3-6H,1-2H2.
What are the key properties of N-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine?
N-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine has a molecular weight of 188.25 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylideneamino)-1-benzothiophen-3-yl]methanimine is sourced from PubChem (CID 146181845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).