thiophen-2-yl 4-sulfanylbutanoate

C8H10O2S2 — CID 87508338

IUPACthiophen-2-yl 4-sulfanylbutanoate
SMILESO=C(CCCS)Oc1cccs1
InChIInChI=1S/C8H10O2S2/c9-7(3-1-5-11)10-8-4-2-6-12-8/h2,4,6,11H,1,3,5H2
InChIKeyGNOPFKXDQYPCHK-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.36
Rot. Bonds4

About thiophen-2-yl 4-sulfanylbutanoate

thiophen-2-yl 4-sulfanylbutanoate (PubChem CID 87508338) has the molecular formula C8H10O2S2 and a molecular weight of 202.30 g/mol. Its IUPAC name is thiophen-2-yl 4-sulfanylbutanoate.

Molecular Properties

Compound Namethiophen-2-yl 4-sulfanylbutanoate
PubChem CID87508338
Molecular FormulaC8H10O2S2
Molecular Weight202.30 g/mol
Exact Mass202.01
IUPAC Namethiophen-2-yl 4-sulfanylbutanoate
SMILESO=C(CCCS)Oc1cccs1
InChIInChI=1S/C8H10O2S2/c9-7(3-1-5-11)10-8-4-2-6-12-8/h2,4,6,11H,1,3,5H2
InChIKeyGNOPFKXDQYPCHK-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 160726441
CID 160726441
thiophen-2-yl pent-4-enoate
CID 174368768
thiophen-2-yl (2S)-2-amino-4-sulfanylbutanoate
CID 174919096
dithiophen-2-yl 2-hydroxybutanedioate
CID 174458468
thiophen-2-yl acetate
CID 23617313
11-thiophen-2-yloxyundecanoic acid
CID 69270363
3-[5-(2-thiophen-2-yloxyacetyl)oxythiophen-2-yl]oxypropanoic acid
CID 138556055
acetic acid;2-methylprop-2-enoic acid;thiophen-2-yl 2-methylprop-2-enoate
CID 67582617
3-hydroxy-4-thiophen-2-yloxybutanoic acid
CID 69271793
2-sulfanylethyl thiophene-2-carboxylate
CID 175040305
CID 88795565
CID 88795565
furan-2-ylmethyl 4-sulfanylbutanoate
CID 89395798

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl 4-sulfanylbutanoate?
The IUPAC name of thiophen-2-yl 4-sulfanylbutanoate (CID 87508338) is thiophen-2-yl 4-sulfanylbutanoate.
What is the SMILES notation for thiophen-2-yl 4-sulfanylbutanoate?
The canonical SMILES for thiophen-2-yl 4-sulfanylbutanoate is O=C(CCCS)Oc1cccs1.
What is the InChIKey of thiophen-2-yl 4-sulfanylbutanoate?
The InChIKey is GNOPFKXDQYPCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S2/c9-7(3-1-5-11)10-8-4-2-6-12-8/h2,4,6,11H,1,3,5H2.
What are the key properties of thiophen-2-yl 4-sulfanylbutanoate?
thiophen-2-yl 4-sulfanylbutanoate has a molecular weight of 202.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl 4-sulfanylbutanoate is sourced from PubChem (CID 87508338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).