RITA

CAT: 0127-BUP15284-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15284-05Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

213261-59-7

Synonyms

NSC 652287, RITA (NSC 652287)

Purity

=95%

Smiles

OCc1ccc(s1)-c1ccc(o1)-c1ccc(CO)s1

Chemical Information

2,5-Bis(5-hydroxymethyl-2-thienyl)furan

[5-[5-[5-(hydroxymethyl)-2-thiophenyl]-2-furanyl]-2-thiophenyl]methanol is a member of thiophenes.

CAS Number	213261-59-7
PubChem CID	374536
IUPAC Name	[5-[5-[5-(hydroxymethyl)thiophen-2-yl]furan-2-yl]thiophen-2-yl]methanol
Molecular Formula	C14H12O3S2
Molecular Weight	292.4
XLogP	2
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	274

SMILES

C1=C(SC(=C1)C2=CC=C(O2)C3=CC=C(S3)CO)CO

InChI

InChI=1S/C14H12O3S2/c15-7-9-1-5-13(18-9)11-3-4-12(17-11)14-6-2-10(8-16)19-14/h1-6,15-16H,7-8H2

InChIKey

KZENBFUSKMWCJF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 213261-59-7

CID: 374536

Formula: C14H12O3S2

MW: 292.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	292.4
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	292.02278659
Monoisotopic Mass	292.02278659
Topological Polar Surface Area	110 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	274
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes