(3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one

C13H10OS — CID 134350420

IUPAC(3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one
SMILESC=C/C=c1\c(=C)sc2ccccc2c1=O
InChIInChI=1S/C13H10OS/c1-3-6-10-9(2)15-12-8-5-4-7-11(12)13(10)14/h3-8H,1-2H2/b10-6+
InChIKeyCTRNMRBPZHBKCC-UXBLZVDNSA-N
MW214.29 g/mol
LogP1.64
Rot. Bonds1

About (3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one

(3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one (PubChem CID 134350420) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is (3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one.

Molecular Properties

Compound Name(3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one
PubChem CID134350420
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name(3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one
SMILESC=C/C=c1\c(=C)sc2ccccc2c1=O
InChIInChI=1S/C13H10OS/c1-3-6-10-9(2)15-12-8-5-4-7-11(12)13(10)14/h3-8H,1-2H2/b10-6+
InChIKeyCTRNMRBPZHBKCC-UXBLZVDNSA-N
XLogP1.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(12E,13E)-12,13-bis(prop-2-enylidene)-8,11,15-trithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14)-pentaene
CID 139393949
3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene
CID 91256916
1,1'-biphenyl;thioxanthen-9-one
CID 159774057
dibenzothiophene;formaldehyde
CID 20556925
aniline;thioxanthen-9-one
CID 157172339
2-methylprop-2-enoic acid;thioxanthen-9-one
CID 174860771
3,4-dimethylthioxanthen-9-one
CID 13113961
(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene
CID 15554848
3-bromo-2-methylthiochromen-4-one
CID 119090270
(3Z)-2-methylidene-3-prop-2-enylidene-1H-indole
CID 142891286
9-oxothioxanthene-4-carbonitrile
CID 10657513
dibenzothiophene;methane
CID 162233710

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one?
The IUPAC name of (3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one (CID 134350420) is (3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one.
What is the SMILES notation for (3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one?
The canonical SMILES for (3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one is C=C/C=c1\c(=C)sc2ccccc2c1=O.
What is the InChIKey of (3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one?
The InChIKey is CTRNMRBPZHBKCC-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H10OS/c1-3-6-10-9(2)15-12-8-5-4-7-11(12)13(10)14/h3-8H,1-2H2/b10-6+.
What are the key properties of (3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one?
(3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one has a molecular weight of 214.29 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one is sourced from PubChem (CID 134350420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).