2-[(2S)-butan-2-yl]sulfanylthiophene

C8H12S2 — CID 89122667

IUPAC2-[(2S)-butan-2-yl]sulfanylthiophene
SMILESCC[C@H](C)Sc1cccs1
InChIInChI=1S/C8H12S2/c1-3-7(2)10-8-5-4-6-9-8/h4-7H,3H2,1-2H3/t7-/m0/s1
InChIKeyMGLRFPVDQZHEOJ-ZETCQYMHSA-N
MW172.32 g/mol
LogP3.64
Rot. Bonds3

About 2-[(2S)-butan-2-yl]sulfanylthiophene

2-[(2S)-butan-2-yl]sulfanylthiophene (PubChem CID 89122667) has the molecular formula C8H12S2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]sulfanylthiophene.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]sulfanylthiophene
PubChem CID89122667
Molecular FormulaC8H12S2
Molecular Weight172.32 g/mol
Exact Mass172.04
IUPAC Name2-[(2S)-butan-2-yl]sulfanylthiophene
SMILESCC[C@H](C)Sc1cccs1
InChIInChI=1S/C8H12S2/c1-3-7(2)10-8-5-4-6-9-8/h4-7H,3H2,1-2H3/t7-/m0/s1
InChIKeyMGLRFPVDQZHEOJ-ZETCQYMHSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-butan-2-yl]sulfanylthiophene?
The IUPAC name of 2-[(2S)-butan-2-yl]sulfanylthiophene (CID 89122667) is 2-[(2S)-butan-2-yl]sulfanylthiophene.
What is the SMILES notation for 2-[(2S)-butan-2-yl]sulfanylthiophene?
The canonical SMILES for 2-[(2S)-butan-2-yl]sulfanylthiophene is CC[C@H](C)Sc1cccs1.
What is the InChIKey of 2-[(2S)-butan-2-yl]sulfanylthiophene?
The InChIKey is MGLRFPVDQZHEOJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12S2/c1-3-7(2)10-8-5-4-6-9-8/h4-7H,3H2,1-2H3/t7-/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]sulfanylthiophene?
2-[(2S)-butan-2-yl]sulfanylthiophene has a molecular weight of 172.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]sulfanylthiophene is sourced from PubChem (CID 89122667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).