7-Methoxy-benzothiazole-2-thiol

CAT: 0926-ILB35582-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-ILB35582-01Size:50 mg

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CAS Number

908355-82-8

Smiles

COC1=CC=CC2=C1SC (=S) N2

Molecular Formula

C8H7NOS2

Molecular Weight

197.3 g/mol

Controlled

Chemical Information

7-Methoxy-benzothiazole-2-thiol

CAS Number	908355-82-8
PubChem CID	11850770
IUPAC Name	7-methoxy-3H-1,3-benzothiazole-2-thione
Molecular Formula	C8H7NOS2
Molecular Weight	197.3
XLogP	2.2
Topological Polar Surface Area	78.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	197

SMILES

COC1=CC=CC2=C1SC(=S)N2

InChI

InChI=1S/C8H7NOS2/c1-10-6-4-2-3-5-7(6)12-8(11)9-5/h2-4H,1H3,(H,9,11)

InChIKey

FIDWAAQFVRHGAU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 908355-82-8

CID: 11850770

Formula: C8H7NOS2

MW: 197.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.3
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	196.99690619
Monoisotopic Mass	196.99690619
Topological Polar Surface Area	78.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	197
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
FDD51934-01	7-Methoxy-2- (2-methylphenyl) quinazoline-4-thiol
FC12577-01	2-Cyano-6-methoxy benzothiazole
XFA31753-01	6-Methoxy-1,2-benzothiazole
KBA27230-01	4-Methoxy-1,2-benzothiazole
SBA93791-01	4,5,6,7-Tetrahydro-1,3-benzothiazole-2-thiol
PFA03697-01	7-Bromo-1,2-benzothiazole
FXC21796-01	6-Bromo-2-methoxy-1,3-benzothiazole
EJB05990-01	5-Methoxy-1,3-benzothiazole-2-carbaldehyde
GSB63987-01	2- (Chloromethyl) -6-methoxy-1,3-benzothiazole
KEA70418-01	2- (Bromomethyl) -6-methoxy-1,3-benzothiazole

Catalog	Name
OR480531	1,3-Benzothiazole-2-thiol
sc-351503A	7-methoxy-4-phenylquinoline-2-thiol
267684-01	2-Chloro-5-methoxy-benzothiazole
267681-01	2-Cyano-6-methoxy benzothiazole
267680-01	2-Chloro-6-methoxy benzothiazole
OR1087696	6-Methoxy-2- (methylthio) benzothiazole
sc-351504	7-methoxy-4-pyridin-3-ylquinoline-2-thiol
OR909266-01	4-methyl-1,3-benzothiazole-2-thiol
OR16445-01	6-Amino-1,3-benzothiazole-2-thiol
sc-316693	4-Methoxy-benzothiazole-2,6-diamine