carbonochloridic acid;2-ethylthiophene

C7H9ClO2S — CID 88766829

IUPACcarbonochloridic acid;2-ethylthiophene
SMILESCCc1cccs1.O=C(O)Cl
InChIInChI=1S/C6H8S.CHClO2/c1-2-6-4-3-5-7-6;2-1(3)4/h3-5H,2H2,1H3;(H,3,4)
InChIKeyKFVOATMZTYAUDC-UHFFFAOYSA-N
MW192.67 g/mol
LogP3.21
Rot. Bonds1

About carbonochloridic acid;2-ethylthiophene

carbonochloridic acid;2-ethylthiophene (PubChem CID 88766829) has the molecular formula C7H9ClO2S and a molecular weight of 192.67 g/mol. Its IUPAC name is carbonochloridic acid;2-ethylthiophene.

Molecular Properties

Compound Namecarbonochloridic acid;2-ethylthiophene
PubChem CID88766829
Molecular FormulaC7H9ClO2S
Molecular Weight192.67 g/mol
Exact Mass192.00
IUPAC Namecarbonochloridic acid;2-ethylthiophene
SMILESCCc1cccs1.O=C(O)Cl
InChIInChI=1S/C6H8S.CHClO2/c1-2-6-4-3-5-7-6;2-1(3)4/h3-5H,2H2,1H3;(H,3,4)
InChIKeyKFVOATMZTYAUDC-UHFFFAOYSA-N
XLogP3.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
2-hydroxyacetic acid;2-(thiophen-2-ylmethyl)thiophene
CID 22416732
2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid
CID 114995683
1-thiophen-2-ylhexane-2,4-dione
CID 86201838
2-(thiophen-2-ylmethylsulfinyl)butanoic acid
CID 105355661
methyl 3-oxo-4-thiophen-2-ylbutanoate
CID 165358561
2,3-dimethyl-4-thiophen-2-ylbutanoic acid
CID 81007832
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone
CID 79095620
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;2-ethylthiophene?
The IUPAC name of carbonochloridic acid;2-ethylthiophene (CID 88766829) is carbonochloridic acid;2-ethylthiophene.
What is the SMILES notation for carbonochloridic acid;2-ethylthiophene?
The canonical SMILES for carbonochloridic acid;2-ethylthiophene is CCc1cccs1.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;2-ethylthiophene?
The InChIKey is KFVOATMZTYAUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S.CHClO2/c1-2-6-4-3-5-7-6;2-1(3)4/h3-5H,2H2,1H3;(H,3,4).
What are the key properties of carbonochloridic acid;2-ethylthiophene?
carbonochloridic acid;2-ethylthiophene has a molecular weight of 192.67 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;2-ethylthiophene is sourced from PubChem (CID 88766829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).