(5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane

C13H23BrS2 — CID 129049303

IUPAC(5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane
SMILESCC(C)S(c1ccc(Br)s1)(C(C)C)C(C)C
InChIInChI=1S/C13H23BrS2/c1-9(2)16(10(3)4,11(5)6)13-8-7-12(14)15-13/h7-11H,1-6H3
InChIKeyUPKXVLYAZUNOEX-UHFFFAOYSA-N
MW323.37 g/mol
LogP5.90
Rot. Bonds4

About (5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane

(5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane (PubChem CID 129049303) has the molecular formula C13H23BrS2 and a molecular weight of 323.37 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane
PubChem CID129049303
Molecular FormulaC13H23BrS2
Molecular Weight323.37 g/mol
Exact Mass322.04
IUPAC Name(5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane
SMILESCC(C)S(c1ccc(Br)s1)(C(C)C)C(C)C
InChIInChI=1S/C13H23BrS2/c1-9(2)16(10(3)4,11(5)6)13-8-7-12(14)15-13/h7-11H,1-6H3
InChIKeyUPKXVLYAZUNOEX-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.37
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine
CID 95505346
5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 55029070
5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
CID 57018556
(5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid
CID 67189352
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
5-bromo-N-(4-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 83179426
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 120824454
5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 107158212
5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide
CID 115662596

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane?
The IUPAC name of (5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane (CID 129049303) is (5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane.
What is the SMILES notation for (5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane?
The canonical SMILES for (5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane is CC(C)S(c1ccc(Br)s1)(C(C)C)C(C)C.
What is the InChIKey of (5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane?
The InChIKey is UPKXVLYAZUNOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrS2/c1-9(2)16(10(3)4,11(5)6)13-8-7-12(14)15-13/h7-11H,1-6H3.
What are the key properties of (5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane?
(5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane has a molecular weight of 323.37 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane is sourced from PubChem (CID 129049303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).