Products for Research Use Only

2,1-Benzothiazol-7-amine

CAT: 0926-EFC29869-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-EFC29869-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1379298-69-7
MDL Number
MFCD20724016
Smiles
C1=CC2=CSN=C2C (=C1) N
Molecular Formula
C7H6N2S
Molecular Weight
150.2 g/mol
Controlled
No

Chemical Information

2,1-Benzothiazol-7-amine
CAS Number1379298-69-7
PubChem CID69565634
IUPAC Name2,1-benzothiazol-7-amine
Molecular FormulaC7H6N2S
Molecular Weight150.20
XLogP1.6
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity129
SMILES
C1=CC2=CSN=C2C(=C1)N
InChI
InChI=1S/C7H6N2S/c8-6-3-1-2-5-4-10-9-7(5)6/h1-4H,8H2
InChIKey
RXLIUQPHMAEAKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,1-Benzothiazol-7-amine
CAS: 1379298-69-7
CID: 69565634
Formula: C7H6N2S
MW: 150.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight150.20
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass150.02516937
Monoisotopic Mass150.02516937
Topological Polar Surface Area67.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes