3-ethenylsulfanylbut-3-en-2-ol

C6H10OS — CID 123545678

IUPAC3-ethenylsulfanylbut-3-en-2-ol
SMILESC=CSC(=C)C(C)O
InChIInChI=1S/C6H10OS/c1-4-8-6(3)5(2)7/h4-5,7H,1,3H2,2H3
InChIKeySTTUITLMVAGAIB-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.76
Rot. Bonds3

About 3-ethenylsulfanylbut-3-en-2-ol

3-ethenylsulfanylbut-3-en-2-ol (PubChem CID 123545678) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 3-ethenylsulfanylbut-3-en-2-ol.

Molecular Properties

Compound Name3-ethenylsulfanylbut-3-en-2-ol
PubChem CID123545678
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name3-ethenylsulfanylbut-3-en-2-ol
SMILESC=CSC(=C)C(C)O
InChIInChI=1S/C6H10OS/c1-4-8-6(3)5(2)7/h4-5,7H,1,3H2,2H3
InChIKeySTTUITLMVAGAIB-UHFFFAOYSA-N
XLogP1.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfanylbut-3-en-2-ol?
The IUPAC name of 3-ethenylsulfanylbut-3-en-2-ol (CID 123545678) is 3-ethenylsulfanylbut-3-en-2-ol.
What is the SMILES notation for 3-ethenylsulfanylbut-3-en-2-ol?
The canonical SMILES for 3-ethenylsulfanylbut-3-en-2-ol is C=CSC(=C)C(C)O.
What is the InChIKey of 3-ethenylsulfanylbut-3-en-2-ol?
The InChIKey is STTUITLMVAGAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-4-8-6(3)5(2)7/h4-5,7H,1,3H2,2H3.
What are the key properties of 3-ethenylsulfanylbut-3-en-2-ol?
3-ethenylsulfanylbut-3-en-2-ol has a molecular weight of 130.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfanylbut-3-en-2-ol is sourced from PubChem (CID 123545678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).