(2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine

C11H13NS — CID 63969242

IUPAC(2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine
SMILESNC/C=C1/CCSc2ccccc21
InChIInChI=1S/C11H13NS/c12-7-5-9-6-8-13-11-4-2-1-3-10(9)11/h1-5H,6-8,12H2/b9-5-
InChIKeyROXXGIMXQUTPKN-UITAMQMPSA-N
MW191.30 g/mol
LogP2.52
Rot. Bonds1

About (2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine

(2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine (PubChem CID 63969242) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is (2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine.

Molecular Properties

Compound Name(2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine
PubChem CID63969242
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name(2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine
SMILESNC/C=C1/CCSc2ccccc21
InChIInChI=1S/C11H13NS/c12-7-5-9-6-8-13-11-4-2-1-3-10(9)11/h1-5H,6-8,12H2/b9-5-
InChIKeyROXXGIMXQUTPKN-UITAMQMPSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide
CID 67689586
8-thiatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-12-one
CID 154103054
(2Z)-2-(5-imino-2,3-dihydro-1-benzothiepin-4-ylidene)-N'-methylethanimidamide
CID 143719451
(5-oxo-2,3-dihydro-1-benzothiepin-4-ylidene)methyl benzoate
CID 71325453
4-ethenylidene-2,3-dihydrothiochromene
CID 143818370
(NE)-N-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)hydroxylamine
CID 5400234
3,4-dihydro-2H-thiochromene
CID 66971118
2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneethanamine
CID 54082998
(5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione
CID 88657751
5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine
CID 14837196
3-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-1-amine
CID 76997136
2-ethyl-5,6-dihydro-[1]benzothiepino[5,4-d]pyrimidine
CID 139763459

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine?
The IUPAC name of (2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine (CID 63969242) is (2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine.
What is the SMILES notation for (2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine?
The canonical SMILES for (2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine is NC/C=C1/CCSc2ccccc21.
What is the InChIKey of (2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine?
The InChIKey is ROXXGIMXQUTPKN-UITAMQMPSA-N. The full InChI is InChI=1S/C11H13NS/c12-7-5-9-6-8-13-11-4-2-1-3-10(9)11/h1-5H,6-8,12H2/b9-5-.
What are the key properties of (2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine?
(2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine has a molecular weight of 191.30 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine is sourced from PubChem (CID 63969242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).