BD750

CAT: 0607-BA4902-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4902-25Size:25 mg

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

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CAS Number

892686-59-8

Form

A solid

Molecular Formula

C14H13N3OS

Molecular Weight

271.34

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-2H-indazol-3-ol

CAS Number	892686-59-8
PubChem CID	16459674
IUPAC Name	2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
Molecular Formula	C14H13N3OS
Molecular Weight	271.34
XLogP	3.5
Topological Polar Surface Area	73.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	436

SMILES

C1CCC2=C(C1)C(=O)N(N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C14H13N3OS/c18-13-9-5-1-2-6-10(9)16-17(13)14-15-11-7-3-4-8-12(11)19-14/h3-4,7-8,16H,1-2,5-6H2

InChIKey

QWUHPPCZZXKXOQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 892686-59-8

CID: 16459674

Formula: C14H13N3OS

MW: 271.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.34
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	271.07793322
Monoisotopic Mass	271.07793322
Topological Polar Surface Area	73.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	436
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