butan-2-ol;thiophene

C8H14OS — CID 174293367

IUPACbutan-2-ol;thiophene
SMILESCCC(C)O.c1ccsc1
InChIInChI=1S/C4H10O.C4H4S/c1-3-4(2)5;1-2-4-5-3-1/h4-5H,3H2,1-2H3;1-4H
InChIKeyMMSODCCKMSOQGW-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.53
Rot. Bonds1

About butan-2-ol;thiophene

butan-2-ol;thiophene (PubChem CID 174293367) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is butan-2-ol;thiophene.

Molecular Properties

Compound Namebutan-2-ol;thiophene
PubChem CID174293367
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Namebutan-2-ol;thiophene
SMILESCCC(C)O.c1ccsc1
InChIInChI=1S/C4H10O.C4H4S/c1-3-4(2)5;1-2-4-5-3-1/h4-5H,3H2,1-2H3;1-4H
InChIKeyMMSODCCKMSOQGW-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

hexan-3-ol;thiophene
CID 174528278
tris(butan-2-ol);gallane
CID 175569742
pentakis(butan-2-ol);molybdenum
CID 152613437
aluminum butan-2-ol
CID 23623700
CID 157498325
CID 157498325
butan-2-ol;ethanol
CID 174347632
butan-2-ol;ethanol
CID 87396559
bis(butan-2-ol);carbanide;tantalum
CID 22416357
barium(2+);butan-2-ol;hydride;hydrate
CID 174746471
2-methylhexanoic acid;thiophene
CID 174580126
bis(butan-2-ol);carbanide;oxovanadium
CID 536550
butan-2-ol;but-2-ene
CID 157060914

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;thiophene?
The IUPAC name of butan-2-ol;thiophene (CID 174293367) is butan-2-ol;thiophene.
What is the SMILES notation for butan-2-ol;thiophene?
The canonical SMILES for butan-2-ol;thiophene is CCC(C)O.c1ccsc1.
What is the InChIKey of butan-2-ol;thiophene?
The InChIKey is MMSODCCKMSOQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C4H4S/c1-3-4(2)5;1-2-4-5-3-1/h4-5H,3H2,1-2H3;1-4H.
What are the key properties of butan-2-ol;thiophene?
butan-2-ol;thiophene has a molecular weight of 158.27 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;thiophene is sourced from PubChem (CID 174293367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).