butan-2-ol;sulfurothioic O-acid

C4H12O4S2 — CID 175241517

IUPACbutan-2-ol;sulfurothioic O-acid
SMILESCCC(C)O.O=S(O)(O)=S
InChIInChI=1S/C4H10O.H2O3S2/c1-3-4(2)5;1-5(2,3)4/h4-5H,3H2,1-2H3;(H2,1,2,3,4)
InChIKeyHSQWUWKUZQLUHJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.46
Rot. Bonds1

About butan-2-ol;sulfurothioic O-acid

butan-2-ol;sulfurothioic O-acid (PubChem CID 175241517) has the molecular formula C4H12O4S2 and a molecular weight of 188.27 g/mol. Its IUPAC name is butan-2-ol;sulfurothioic O-acid.

Molecular Properties

Compound Namebutan-2-ol;sulfurothioic O-acid
PubChem CID175241517
Molecular FormulaC4H12O4S2
Molecular Weight188.27 g/mol
Exact Mass188.02
IUPAC Namebutan-2-ol;sulfurothioic O-acid
SMILESCCC(C)O.O=S(O)(O)=S
InChIInChI=1S/C4H10O.H2O3S2/c1-3-4(2)5;1-5(2,3)4/h4-5H,3H2,1-2H3;(H2,1,2,3,4)
InChIKeyHSQWUWKUZQLUHJ-UHFFFAOYSA-N
XLogP0.46
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butan-2-ol;sulfurothioic O-acid?
The IUPAC name of butan-2-ol;sulfurothioic O-acid (CID 175241517) is butan-2-ol;sulfurothioic O-acid.
What is the SMILES notation for butan-2-ol;sulfurothioic O-acid?
The canonical SMILES for butan-2-ol;sulfurothioic O-acid is CCC(C)O.O=S(O)(O)=S.
What is the InChIKey of butan-2-ol;sulfurothioic O-acid?
The InChIKey is HSQWUWKUZQLUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.H2O3S2/c1-3-4(2)5;1-5(2,3)4/h4-5H,3H2,1-2H3;(H2,1,2,3,4).
What are the key properties of butan-2-ol;sulfurothioic O-acid?
butan-2-ol;sulfurothioic O-acid has a molecular weight of 188.27 g/mol, XLogP of 0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;sulfurothioic O-acid is sourced from PubChem (CID 175241517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).