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Benzophenone-4-isothiocyanate

CAT: 0024-sc-214587Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-214587Size:100 mg
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CAS Number
26328-59-6

Chemical Information

Benzophenone-4-isothiocyanate
CAS Number26328-59-6
PubChem CID11436384
IUPAC Name(4-isothiocyanatophenyl)-phenylmethanone
Molecular FormulaC14H9NOS
Molecular Weight239.29
XLogP4.8
Topological Polar Surface Area61.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity308
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N=C=S
InChI
InChI=1S/C14H9NOS/c16-14(11-4-2-1-3-5-11)12-6-8-13(9-7-12)15-10-17/h1-9H
InChIKey
FMSYGGOEIOBUOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzophenone-4-isothiocyanate
CAS: 26328-59-6
CID: 11436384
Formula: C14H9NOS
MW: 239.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.29
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass239.04048508
Monoisotopic Mass239.04048508
Topological Polar Surface Area61.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity308
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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sc-280402A4- (Trifluoromethyl) benzophenone
sc-2618154-Bromo-4'- (trifluoromethoxy) benzophenone
sc-485386Benzophenone-4,4'-dicarboxylic Acid
sc-2389714,4'-Bis (diethylamino) benzophenone
sc-2101654,4'-Bis (trimethylacetoxy) benzophenone
sc-4875344,4'-Bis (methylamino) benzophenone

Alternative Products

CatalogName
FB70351-014- (Bromomethyl) benzophenone
M2132-10-014- (Maleimido) benzophenone
RG-A260731-01Sulisobenzone; Benzophenone 4
abx1884304-Amino Benzophenone
TRC-D245381-500MG4-(Dimethylamino)benzophenone
FD41618-014- (Dimethylamino) benzophenone
MBS6107248-014-(Maleimido)benzophenone
TRC-D472760-250MG4-(Dimethylaminoethoxy)benzophenone
PC7570-014- (Trifluoromethyl) benzophenone
4295204- (Dimethylaminoethoxy) benzophenone

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