(Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal

C10H10O2S — CID 14530924

IUPAC(Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal
SMILESCOc1ccc(/C(S)=C/C=O)cc1
InChIInChI=1S/C10H10O2S/c1-12-9-4-2-8(3-5-9)10(13)6-7-11/h2-7,13H,1H3/b10-6-
InChIKeyRVGOHIMAOXJCTO-POHAHGRESA-N
MW194.25 g/mol
LogP2.16
Rot. Bonds3

About (Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal

(Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal (PubChem CID 14530924) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is (Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal.

Molecular Properties

Compound Name(Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal
PubChem CID14530924
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name(Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal
SMILESCOc1ccc(/C(S)=C/C=O)cc1
InChIInChI=1S/C10H10O2S/c1-12-9-4-2-8(3-5-9)10(13)6-7-11/h2-7,13H,1H3/b10-6-
InChIKeyRVGOHIMAOXJCTO-POHAHGRESA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230
(Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal
CID 42611332
sodium 2-(4-methoxyphenyl)-4-oxobut-2-enoate
CID 158536911
1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
CID 44604980
formic acid;methyl 4-methoxybenzoate
CID 159779883
2,3,3-tris(4-methoxyphenyl)prop-2-enal
CID 13400445
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
N-formyl-4-methoxybenzamide
CID 10856056
CID 12714057
CID 12714057
(E)-3-(3-chloro-2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-enal
CID 146451505
1-(4-methoxyphenyl)-4,4-dimethyl-3-sulfanylpent-2-en-1-one
CID 173499199
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal?
The IUPAC name of (Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal (CID 14530924) is (Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal.
What is the SMILES notation for (Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal?
The canonical SMILES for (Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal is COc1ccc(/C(S)=C/C=O)cc1.
What is the InChIKey of (Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal?
The InChIKey is RVGOHIMAOXJCTO-POHAHGRESA-N. The full InChI is InChI=1S/C10H10O2S/c1-12-9-4-2-8(3-5-9)10(13)6-7-11/h2-7,13H,1H3/b10-6-.
What are the key properties of (Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal?
(Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal has a molecular weight of 194.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal is sourced from PubChem (CID 14530924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).