butyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane

C18H21Br2NS — CID 135200592

IUPACbutyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane
SMILESCCCCS(C)(C)n1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C18H21Br2NS/c1-4-5-10-22(2,3)21-17-11-13(19)6-8-15(17)16-9-7-14(20)12-18(16)21/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyBJMGHIAIISOSKE-UHFFFAOYSA-N
MW443.25 g/mol
LogP6.95
Rot. Bonds4

About butyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane

butyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane (PubChem CID 135200592) has the molecular formula C18H21Br2NS and a molecular weight of 443.25 g/mol. Its IUPAC name is butyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane.

Molecular Properties

Compound Namebutyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane
PubChem CID135200592
Molecular FormulaC18H21Br2NS
Molecular Weight443.25 g/mol
Exact Mass440.98
IUPAC Namebutyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane
SMILESCCCCS(C)(C)n1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C18H21Br2NS/c1-4-5-10-22(2,3)21-17-11-13(19)6-8-15(17)16-9-7-14(20)12-18(16)21/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyBJMGHIAIISOSKE-UHFFFAOYSA-N
XLogP6.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.25
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane?
The IUPAC name of butyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane (CID 135200592) is butyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane.
What is the SMILES notation for butyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane?
The canonical SMILES for butyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane is CCCCS(C)(C)n1c2cc(Br)ccc2c2ccc(Br)cc21.
What is the InChIKey of butyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane?
The InChIKey is BJMGHIAIISOSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2NS/c1-4-5-10-22(2,3)21-17-11-13(19)6-8-15(17)16-9-7-14(20)12-18(16)21/h6-9,11-12H,4-5,10H2,1-3H3.
What are the key properties of butyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane?
butyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane has a molecular weight of 443.25 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane is sourced from PubChem (CID 135200592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).