PBIT 50mg

CAT: 0628-A14366-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A14366-50Size:50 mg

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

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CAS Number

2514-30-9

Chemical Information

2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one

CAS Number	2514-30-9
PubChem CID	935415
IUPAC Name	2-(4-methylphenyl)-1,2-benzothiazol-3-one
Molecular Formula	C14H11NOS
Molecular Weight	241.31
XLogP	3.4
Topological Polar Surface Area	45.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	299

SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3

InChIKey

KRXMYBAZKJBJAB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2514-30-9

CID: 935415

Formula: C14H11NOS

MW: 241.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.31
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	241.05613515
Monoisotopic Mass	241.05613515
Topological Polar Surface Area	45.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	299
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