(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride

C8H7ClOS — CID 13100384

IUPAC(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride
SMILESCc1ccsc1/C=C/C(=O)Cl
InChIInChI=1S/C8H7ClOS/c1-6-4-5-11-7(6)2-3-8(9)10/h2-5H,1H3/b3-2+
InChIKeyRYVIHCQCOKUSAG-NSCUHMNNSA-N
MW186.66 g/mol
LogP2.84
Rot. Bonds2

About (E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride

(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride (PubChem CID 13100384) has the molecular formula C8H7ClOS and a molecular weight of 186.66 g/mol. Its IUPAC name is (E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride.

Molecular Properties

Compound Name(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride
PubChem CID13100384
Molecular FormulaC8H7ClOS
Molecular Weight186.66 g/mol
Exact Mass185.99
IUPAC Name(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride
SMILESCc1ccsc1/C=C/C(=O)Cl
InChIInChI=1S/C8H7ClOS/c1-6-4-5-11-7(6)2-3-8(9)10/h2-5H,1H3/b3-2+
InChIKeyRYVIHCQCOKUSAG-NSCUHMNNSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 76872160
(E)-1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 6054672
(Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide
CID 6141778
(E)-N,N-diethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 60635971
(E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 60636518
(E)-1-(4-bromophenyl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 139071939
(E)-N-(2-ethylbutyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 113232022
N,N-bis(2-hydroxyethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 61233787
methyl 3-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]thiophene-2-carboxylate
CID 43013639
(E)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 107847318
N-[(2R)-1-hydroxypropan-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 79027874
prop-2-ynyl (E)-3-(3-methylthiophen-2-yl)prop-2-enoate
CID 14126979

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride?
The IUPAC name of (E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride (CID 13100384) is (E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride.
What is the SMILES notation for (E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride?
The canonical SMILES for (E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride is Cc1ccsc1/C=C/C(=O)Cl.
What is the InChIKey of (E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride?
The InChIKey is RYVIHCQCOKUSAG-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H7ClOS/c1-6-4-5-11-7(6)2-3-8(9)10/h2-5H,1H3/b3-2+.
What are the key properties of (E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride?
(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride has a molecular weight of 186.66 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride is sourced from PubChem (CID 13100384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).