Furfural Impurity 7

CAT: 1596-AR-F11087-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F11087-01Size:10 Units

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CAS Number

159144-93-1

Molecular Formula

C6H8O2S

Molecular Weight

144.19

API Name

Furfural

Chemical Information

(5-(Sulfanylmethyl)furan-2-yl)methanol

CAS Number	159144-93-1
PubChem CID	119087375
IUPAC Name	[5-(sulfanylmethyl)furan-2-yl]methanol
Molecular Formula	C6H8O2S
Molecular Weight	144.19
XLogP	0.3
Topological Polar Surface Area	34.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	87

SMILES

C1=C(OC(=C1)CS)CO

InChI

InChI=1S/C6H8O2S/c7-3-5-1-2-6(4-9)8-5/h1-2,7,9H,3-4H2

InChIKey

PIDBCHBMTBOAIM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 159144-93-1

CID: 119087375

Formula: C6H8O2S

MW: 144.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.19
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	144.02450067
Monoisotopic Mass	144.02450067
Topological Polar Surface Area	34.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	87.1
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

Catalog	Name
AR-F11086-01	Furfural Impurity 6
AR-F11088-01	Furfural Impurity 3
AR-F11089-01	Furfural Impurity 4
AR-F11085-01	Furfural Impurity 5
AR-F02208-01	Furfural
AR-F02209-01	5-Hydroxymethyl Furfural
AR-F11091-01	3-Hydroxy Furfural
AR-F11090-01	Sulfoxymethyl-Furfural Sodium Salt
AR-N01603-01	Nintedanib Impurity 7 (Intedanib Impurity 7)
AR-C01256-01	Capecitabine Impurity 7

Catalog	Name
RM-F212128-01	Furfural Impurity 1
RM-F212129-01	Furfural Impurity 2
RM-F212127-01	5-Hydroxymethyl Furfural; Glucosamine Hydrochloride EP Impurity E
MBS3610292	Furfural
164251	Furfural-d4
47462-01	Furfural pure, 99%
268415-01	5- (Chloromethyl) furfural
16603733	5- (Hydroxymethyl) furfural
M6820-01	5-Methyl furfural
01264 00500	Furfural 98% For Synthesis