butane-1-thiol;hydrofluoride

C4H11FS — CID 161154336

IUPACbutane-1-thiol;hydrofluoride
SMILESCCCCS.F
InChIInChI=1S/C4H10S.FH/c1-2-3-4-5;/h5H,2-4H2,1H3;1H
InChIKeyNZNMEKLRSLZMKF-UHFFFAOYSA-N
MW110.20 g/mol
LogP1.87
Rot. Bonds2

About butane-1-thiol;hydrofluoride

butane-1-thiol;hydrofluoride (PubChem CID 161154336) has the molecular formula C4H11FS and a molecular weight of 110.20 g/mol. Its IUPAC name is butane-1-thiol;hydrofluoride.

Molecular Properties

Compound Namebutane-1-thiol;hydrofluoride
PubChem CID161154336
Molecular FormulaC4H11FS
Molecular Weight110.20 g/mol
Exact Mass110.06
IUPAC Namebutane-1-thiol;hydrofluoride
SMILESCCCCS.F
InChIInChI=1S/C4H10S.FH/c1-2-3-4-5;/h5H,2-4H2,1H3;1H
InChIKeyNZNMEKLRSLZMKF-UHFFFAOYSA-N
XLogP1.87
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

butane-1-thiol;silane
CID 157290532
decane-1-thiol
CID 8917
bis(pentane-1-thiol);zinc
CID 87496779
octadecane-1-thiol;octane-1-thiol
CID 158706451
decane-1-thiol;undecane-1-thiol
CID 174806736
dodecane-1-thiol
CID 8195
cobalt;dodecane-1-thiol
CID 158588427
bis(octadecane-1-thiol);zinc
CID 87094547
bis(dodecane-1-thiol);zinc
CID 87094417
dodecane-1-thiol;palladium
CID 174472866
iron;octane-1-thiol
CID 174785470
CID 160700659
CID 160700659

Frequently Asked Questions

What is the IUPAC name of butane-1-thiol;hydrofluoride?
The IUPAC name of butane-1-thiol;hydrofluoride (CID 161154336) is butane-1-thiol;hydrofluoride.
What is the SMILES notation for butane-1-thiol;hydrofluoride?
The canonical SMILES for butane-1-thiol;hydrofluoride is CCCCS.F.
What is the InChIKey of butane-1-thiol;hydrofluoride?
The InChIKey is NZNMEKLRSLZMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S.FH/c1-2-3-4-5;/h5H,2-4H2,1H3;1H.
What are the key properties of butane-1-thiol;hydrofluoride?
butane-1-thiol;hydrofluoride has a molecular weight of 110.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1-thiol;hydrofluoride is sourced from PubChem (CID 161154336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).