2-methylsulfanylbenzo[cd]indole hydroxide

C12H10NOS- — CID 19914621

IUPAC2-methylsulfanylbenzo[cd]indole hydroxide
SMILESCSC1=Nc2cccc3cccc1c23.[OH-]
InChIInChI=1S/C12H9NS.H2O/c1-14-12-9-6-2-4-8-5-3-7-10(13-12)11(8)9;/h2-7H,1H3;1H2/p-1
InChIKeyICIGLGABXJNGHX-UHFFFAOYSA-M
MW216.29 g/mol
LogP3.42
Rot. Bonds

About 2-methylsulfanylbenzo[cd]indole hydroxide

2-methylsulfanylbenzo[cd]indole hydroxide (PubChem CID 19914621) has the molecular formula C12H10NOS- and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-methylsulfanylbenzo[cd]indole hydroxide.

Molecular Properties

Compound Name2-methylsulfanylbenzo[cd]indole hydroxide
PubChem CID19914621
Molecular FormulaC12H10NOS-
Molecular Weight216.29 g/mol
Exact Mass216.05
IUPAC Name2-methylsulfanylbenzo[cd]indole hydroxide
SMILESCSC1=Nc2cccc3cccc1c23.[OH-]
InChIInChI=1S/C12H9NS.H2O/c1-14-12-9-6-2-4-8-5-3-7-10(13-12)11(8)9;/h2-7H,1H3;1H2/p-1
InChIKeyICIGLGABXJNGHX-UHFFFAOYSA-M
XLogP3.42
TPSA42.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chlorobenzo[cd]indole
CID 19914569
N-benzo[cd]indol-2-ylhydroxylamine
CID 840643
fluoranthene
CID 139203734
benzo[de]isoquinoline-1,3-dione;nickel
CID 175169723
1-methylsulfanylacenaphthylene
CID 10910498
N-benzo[cd]indol-2-yl-1-difluoroboranylbenzo[cd]indol-2-imine
CID 102364211
2-benzofuran-1,3-dione;ethane;3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
CID 167655999
11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 42638865
2-[4-[8-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]naphthalen-1-yl]-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
CID 102302544
N-[(2-fluorophenyl)methylideneamino]benzo[cd]indol-2-amine
CID 2316098
acenaphthyleno[2,1-b]pyrrol-8-one
CID 67437408
10-methylsulfanylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene
CID 11472054

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylbenzo[cd]indole hydroxide?
The IUPAC name of 2-methylsulfanylbenzo[cd]indole hydroxide (CID 19914621) is 2-methylsulfanylbenzo[cd]indole hydroxide.
What is the SMILES notation for 2-methylsulfanylbenzo[cd]indole hydroxide?
The canonical SMILES for 2-methylsulfanylbenzo[cd]indole hydroxide is CSC1=Nc2cccc3cccc1c23.[OH-].
What is the InChIKey of 2-methylsulfanylbenzo[cd]indole hydroxide?
The InChIKey is ICIGLGABXJNGHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9NS.H2O/c1-14-12-9-6-2-4-8-5-3-7-10(13-12)11(8)9;/h2-7H,1H3;1H2/p-1.
What are the key properties of 2-methylsulfanylbenzo[cd]indole hydroxide?
2-methylsulfanylbenzo[cd]indole hydroxide has a molecular weight of 216.29 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylbenzo[cd]indole hydroxide is sourced from PubChem (CID 19914621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).