2-(2-bromoprop-2-enylsulfanyl)butane

C7H13BrS — CID 130647369

IUPAC2-(2-bromoprop-2-enylsulfanyl)butane
SMILESC=C(Br)CSC(C)CC
InChIInChI=1S/C7H13BrS/c1-4-7(3)9-5-6(2)8/h7H,2,4-5H2,1,3H3
InChIKeyWUDOMEXBVHHOAO-UHFFFAOYSA-N
MW209.15 g/mol
LogP3.43
Rot. Bonds4

About 2-(2-bromoprop-2-enylsulfanyl)butane

2-(2-bromoprop-2-enylsulfanyl)butane (PubChem CID 130647369) has the molecular formula C7H13BrS and a molecular weight of 209.15 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylsulfanyl)butane.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylsulfanyl)butane
PubChem CID130647369
Molecular FormulaC7H13BrS
Molecular Weight209.15 g/mol
Exact Mass207.99
IUPAC Name2-(2-bromoprop-2-enylsulfanyl)butane
SMILESC=C(Br)CSC(C)CC
InChIInChI=1S/C7H13BrS/c1-4-7(3)9-5-6(2)8/h7H,2,4-5H2,1,3H3
InChIKeyWUDOMEXBVHHOAO-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(butan-2-ylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068184
2-ethylsulfanylbutane
CID 521270
1-bromo-3-butan-2-ylsulfanylpropan-2-ol
CID 112560961
2-butan-2-ylsulfanylprop-2-en-1-ol
CID 13331385
2-(fluoromethylsulfanyl)butane
CID 139914131
1-butan-2-ylsulfanyl-5-methylhex-5-en-2-ol
CID 114473887
1-butan-2-ylsulfanyl-3-cyclopropylpropan-2-one
CID 65136455
(2S)-2-propan-2-ylsulfanylbutane
CID 92859736
(2R)-2-propan-2-ylsulfanylbutane
CID 92859735
(2R)-2-hydroxysulfanylbutane
CID 142533001
1-butan-2-ylsulfanylbutane
CID 525455
2-amino-3-butan-2-ylsulfanyl-2-methylpropan-1-ol
CID 64820405

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enylsulfanyl)butane?
The IUPAC name of 2-(2-bromoprop-2-enylsulfanyl)butane (CID 130647369) is 2-(2-bromoprop-2-enylsulfanyl)butane.
What is the SMILES notation for 2-(2-bromoprop-2-enylsulfanyl)butane?
The canonical SMILES for 2-(2-bromoprop-2-enylsulfanyl)butane is C=C(Br)CSC(C)CC.
What is the InChIKey of 2-(2-bromoprop-2-enylsulfanyl)butane?
The InChIKey is WUDOMEXBVHHOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrS/c1-4-7(3)9-5-6(2)8/h7H,2,4-5H2,1,3H3.
What are the key properties of 2-(2-bromoprop-2-enylsulfanyl)butane?
2-(2-bromoprop-2-enylsulfanyl)butane has a molecular weight of 209.15 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enylsulfanyl)butane is sourced from PubChem (CID 130647369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).