chloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane

C19H19ClS2 — CID 139387802

IUPACchloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane
SMILESCC1=C(C)C(S(C)(C)Cl)c2ccc3sc4ccccc4c3c21
InChIInChI=1S/C19H19ClS2/c1-11-12(2)19(22(3,4)20)14-9-10-16-18(17(11)14)13-7-5-6-8-15(13)21-16/h5-10,19H,1-4H3
InChIKeyGSOKCJOEGGPHOZ-UHFFFAOYSA-N
MW346.95 g/mol
LogP7.12
Rot. Bonds1

About chloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane

chloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane (PubChem CID 139387802) has the molecular formula C19H19ClS2 and a molecular weight of 346.95 g/mol. Its IUPAC name is chloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane.

Molecular Properties

Compound Namechloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane
PubChem CID139387802
Molecular FormulaC19H19ClS2
Molecular Weight346.95 g/mol
Exact Mass346.06
IUPAC Namechloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane
SMILESCC1=C(C)C(S(C)(C)Cl)c2ccc3sc4ccccc4c3c21
InChIInChI=1S/C19H19ClS2/c1-11-12(2)19(22(3,4)20)14-9-10-16-18(17(11)14)13-7-5-6-8-15(13)21-16/h5-10,19H,1-4H3
InChIKeyGSOKCJOEGGPHOZ-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.95
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze chloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane with MolForge

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Related Compounds

1-methyldibenzothiophene
CID 23839
N-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine
CID 140821270
1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
CID 142742371
1-(4-methylnaphthalen-1-yl)dibenzothiophene
CID 156896766
2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole
CID 141137697
chloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane
CID 142744406
2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 15441450
bis(dibenzothiophene);ethane
CID 143921746
CID 163829331
CID 163829331
N,N-dimethyldibenzothiophen-1-amine;ethane
CID 157496126
ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 145072070
2-amino-1-methylthioxanthen-9-one
CID 10444372

Frequently Asked Questions

What is the IUPAC name of chloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane?
The IUPAC name of chloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane (CID 139387802) is chloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane.
What is the SMILES notation for chloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane?
The canonical SMILES for chloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane is CC1=C(C)C(S(C)(C)Cl)c2ccc3sc4ccccc4c3c21.
What is the InChIKey of chloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane?
The InChIKey is GSOKCJOEGGPHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClS2/c1-11-12(2)19(22(3,4)20)14-9-10-16-18(17(11)14)13-7-5-6-8-15(13)21-16/h5-10,19H,1-4H3.
What are the key properties of chloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane?
chloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane has a molecular weight of 346.95 g/mol, XLogP of 7.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane is sourced from PubChem (CID 139387802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).