butyl-hydroxy-oxo-sulfanylidene-λ6-sulfane

C4H10O2S2 — CID 12728839

IUPACbutyl-hydroxy-oxo-sulfanylidene-λ6-sulfane
SMILESCCCCS(=O)(O)=S
InChIInChI=1S/C4H10O2S2/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)
InChIKeyIOMUCOUHEXYPPR-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.01
Rot. Bonds3

About butyl-hydroxy-oxo-sulfanylidene-λ6-sulfane

butyl-hydroxy-oxo-sulfanylidene-λ6-sulfane (PubChem CID 12728839) has the molecular formula C4H10O2S2 and a molecular weight of 154.26 g/mol. Its IUPAC name is butyl-hydroxy-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namebutyl-hydroxy-oxo-sulfanylidene-λ6-sulfane
PubChem CID12728839
Molecular FormulaC4H10O2S2
Molecular Weight154.26 g/mol
Exact Mass154.01
IUPAC Namebutyl-hydroxy-oxo-sulfanylidene-λ6-sulfane
SMILESCCCCS(=O)(O)=S
InChIInChI=1S/C4H10O2S2/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)
InChIKeyIOMUCOUHEXYPPR-UHFFFAOYSA-N
XLogP1.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Propyl propane thiosulfonate
CID 529388
1-Butanesulfonic acid
CID 49935
1-Propanesulfonic acid
CID 78938
Butane-1,4-disulfonic acid
CID 119022
2-Propanesulfonic acid
CID 79392
1-Butanesulfinic acid
CID 12113170
1-Pentanesulfonic acid
CID 89827
2-Butanesulfonic acid
CID 3014952
2-Propanesulfinic acid
CID 643585
Propanesulfinic acid
CID 643586
2-Propanesulfonothioic acid, S-(1-methylethyl) ester
CID 536432
(2r)-Butane-2-Sulfonate
CID 46398806

Frequently Asked Questions

What is the IUPAC name of butyl-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of butyl-hydroxy-oxo-sulfanylidene-λ6-sulfane (CID 12728839) is butyl-hydroxy-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for butyl-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for butyl-hydroxy-oxo-sulfanylidene-λ6-sulfane is CCCCS(=O)(O)=S.
What is the InChIKey of butyl-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is IOMUCOUHEXYPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S2/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7).
What are the key properties of butyl-hydroxy-oxo-sulfanylidene-λ6-sulfane?
butyl-hydroxy-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 154.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-hydroxy-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 12728839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).