(8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane

C18H18BrNS — CID 131969943

IUPAC(8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane
SMILESCS(C)(C)n1c2c(c3cc(Br)ccc31)Cc1ccccc1-2
InChIInChI=1S/C18H18BrNS/c1-21(2,3)20-17-9-8-13(19)11-15(17)16-10-12-6-4-5-7-14(12)18(16)20/h4-9,11H,10H2,1-3H3
InChIKeyCNGNOWXGKFTFJH-UHFFFAOYSA-N
MW360.32 g/mol
LogP5.43
Rot. Bonds1

About (8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane

(8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane (PubChem CID 131969943) has the molecular formula C18H18BrNS and a molecular weight of 360.32 g/mol. Its IUPAC name is (8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name(8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane
PubChem CID131969943
Molecular FormulaC18H18BrNS
Molecular Weight360.32 g/mol
Exact Mass359.03
IUPAC Name(8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane
SMILESCS(C)(C)n1c2c(c3cc(Br)ccc31)Cc1ccccc1-2
InChIInChI=1S/C18H18BrNS/c1-21(2,3)20-17-9-8-13(19)11-15(17)16-10-12-6-4-5-7-14(12)18(16)20/h4-9,11H,10H2,1-3H3
InChIKeyCNGNOWXGKFTFJH-UHFFFAOYSA-N
XLogP5.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.32
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane?
The IUPAC name of (8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane (CID 131969943) is (8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane.
What is the SMILES notation for (8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane?
The canonical SMILES for (8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane is CS(C)(C)n1c2c(c3cc(Br)ccc31)Cc1ccccc1-2.
What is the InChIKey of (8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane?
The InChIKey is CNGNOWXGKFTFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNS/c1-21(2,3)20-17-9-8-13(19)11-15(17)16-10-12-6-4-5-7-14(12)18(16)20/h4-9,11H,10H2,1-3H3.
What are the key properties of (8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane?
(8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane has a molecular weight of 360.32 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-10H-indeno[1,2-b]indol-5-yl)-trimethyl-λ4-sulfane is sourced from PubChem (CID 131969943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).