Benzothiazole-d4

CAT: 0024-sc-391831Size: 2.5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-391831Size:2.5 mg

Selected

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

Quick Request Actions

CAS Number

194423-51-3

Chemical Information

Benzothiazole-d4

CAS Number	194423-51-3
PubChem CID	10820601
IUPAC Name	4,5,6,7-tetradeuterio-1,3-benzothiazole
Molecular Formula	C7H5NS
Molecular Weight	139.21
XLogP	2
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	105

SMILES

[2H]C1=C(C(=C2C(=C1[2H])N=CS2)[2H])[2H]

InChI

InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H/i1D,2D,3D,4D

InChIKey

IOJUPLGTWVMSFF-RHQRLBAQSA-N

Chemical Structure

2D Structure

CAS: 194423-51-3

CID: 10820601

Formula: C7H5NS

MW: 139.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	139.21
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	139.03937732
Monoisotopic Mass	139.03937732
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	105
Isotope Atom Count	4
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
sc-254959A	Benzothiazole
sc-254959	Benzothiazole
sc-217726	Benzotriazole-d4
sc-233964	Benzothiazole-2-carboxaldehyde
sc-206332	2- (Ethylthio) benzothiazole
sc-229864	2- (Methylthio) benzothiazole
sc-225111	2- (Trimethylsilyl) benzothiazole
sc-484652	2- (4-Bromophenyl) benzothiazole
sc-291937	Benzothiazole-5-carboxylic acid
sc-265169	2- (2-Chlorophenylsulfanyl) benzothiazole

Catalog	Name
003315	Benzothiazole-d4
003314	Benzothiazole
T22636-01	Phenyl-benzothiazole
B03950-01	Benzothiazole 97%
HY-W012634R-01	Benzothiazole (Standard)
CS-H-00025	2- (Methylmercapto) benzothiazole
290992-01	2-Tributylstannanyl-benzothiazole