(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride

C7H7ClO2S — CID 88528301

IUPAC(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
SMILESCl.O=C(O)/C=C/c1cccs1
InChIInChI=1S/C7H6O2S.ClH/c8-7(9)4-3-6-2-1-5-10-6;/h1-5H,(H,8,9);1H/b4-3+;
InChIKeyWLOPWDHNLFGPAC-BJILWQEISA-N
MW190.65 g/mol
LogP2.27
Rot. Bonds2

About (E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride

(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride (PubChem CID 88528301) has the molecular formula C7H7ClO2S and a molecular weight of 190.65 g/mol. Its IUPAC name is (E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
PubChem CID88528301
Molecular FormulaC7H7ClO2S
Molecular Weight190.65 g/mol
Exact Mass189.99
IUPAC Name(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
SMILESCl.O=C(O)/C=C/c1cccs1
InChIInChI=1S/C7H6O2S.ClH/c8-7(9)4-3-6-2-1-5-10-6;/h1-5H,(H,8,9);1H/b4-3+;
InChIKeyWLOPWDHNLFGPAC-BJILWQEISA-N
XLogP2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 59090948
CID 59090948
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
(E)-4,4-dimethyl-1-thiophen-2-ylpent-1-en-3-one
CID 14044638
(E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one
CID 19558925
(3Z)-1,1-difluoro-4-hydroxy-6-thiophen-2-ylhexa-3,5-dien-2-one
CID 110209119
(E)-2-thiophen-2-ylethenol
CID 89297537
(E)-1-(3,5-dihydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 74983119
3-thiophen-2-yl-1-[4-(3-thiophen-2-ylprop-2-enoyl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 1000917
(Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 92857757
1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one
CID 141350402
1-(4-aminophenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 53405742
(E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-thiophen-2-ylpent-4-enoic acid
CID 6012888

Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride?
The IUPAC name of (E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride (CID 88528301) is (E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride.
What is the SMILES notation for (E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride?
The canonical SMILES for (E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride is Cl.O=C(O)/C=C/c1cccs1.
What is the InChIKey of (E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride?
The InChIKey is WLOPWDHNLFGPAC-BJILWQEISA-N. The full InChI is InChI=1S/C7H6O2S.ClH/c8-7(9)4-3-6-2-1-5-10-6;/h1-5H,(H,8,9);1H/b4-3+;.
What are the key properties of (E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride?
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride has a molecular weight of 190.65 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride is sourced from PubChem (CID 88528301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).