Name: Name:2-[4-(adamantan-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]-4-chloro-3-oxobutanenitrile
Brand: Angene
SKU: AG019OFY
Rating: 90 (10 reviews)

2-[4-(adamantan-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]-4-chloro-3-oxobutanenitrile

CAS No.:

885524-36-7

Catalog Number:

AG019OFY

Molecular Formula:

C17H19ClN2OS

Molecular Weight:

334.8636

Catalog Number:

AG019OFY

Chemical Name:

2-[4-(adamantan-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]-4-chloro-3-oxobutanenitrile

CAS Number:

885524-36-7

Molecular Formula:

C17H19ClN2OS

Molecular Weight:

334.8636

MDL Number:

MFCD07366319

IUPAC Name:

2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-chloro-3-hydroxybut-2-enenitrile

InChI:

InChI=1S/C17H19ClN2OS/c18-7-14(21)13(8-19)16-20-15(9-22-16)17-4-10-1-11(5-17)3-12(2-10)6-17/h9-12,21H,1-7H2

InChI Key:

BPFCPWDLLKXSKR-UHFFFAOYSA-N

SMILES:

ClCC(=O)C(=c1scc([nH]1)C12CC3CC(C2)CC(C1)C3)C#N

Complexity:

511

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

334.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

334.862g/mol

Monoisotopic Mass:

334.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9