Benzothiazoline

CAT: 1299-RG-A262450-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A262450-01Size:10 mg

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CAS Number

4433-52-7

Synonyms

2,3-dihydrobenzo[d]thiazole

Molecular Formula

C7H7NS

Molecular Weight

137.2

Product Name Synonym

2,3-dihydrobenzo[d]thiazole

Chemical Information

Benzothiazoline

CAS Number	4433-52-7
PubChem CID	96588
IUPAC Name	2,3-dihydro-1,3-benzothiazole
Molecular Formula	C7H7NS
Molecular Weight	137.20
XLogP	2.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	105

SMILES

C1NC2=CC=CC=C2S1

InChI

InChI=1S/C7H7NS/c1-2-4-7-6(3-1)8-5-9-7/h1-4,8H,5H2

InChIKey

WOHLSTOWRAOMSG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4433-52-7

CID: 96588

Formula: C7H7NS

MW: 137.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	137.20
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	137.02992040
Monoisotopic Mass	137.02992040
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	105
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
RG-A260993-01	Benzothiazole

Catalog	Name
H09425	3- (p-Hydroxyanilino) methyl-2-Benzothiazoline-Thione Monohydrochloride