6-methyl-1,3-benzothiazole-2,4-diamine

6-methyl-1,3-benzothiazole-2,4-diamine

CAS: 1071346-94-5

Formula: C8H9N3S

SMILES: CC1=CC(N)=C2N=C(N)SC2=C1

IUPAC: 6-methyl-1,3-benzothiazole-2,4-diamine

InChI: InChI=1S/C8H9N3S/c1-4-2-5(9)7-6(3-4)12-8(10)11-7/h2-3H,9H2,1H3,(H2,10,11)

Composition: C (53.61%), H (5.06%), N (23.44%), S (17.89%)

Molar Mass: 179.24

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	179.051718476
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ATMSLSAMHWYQBB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.04
Topological Polar Surface Area	64.93
Polarizability	19.63
Ring Count	2
Rotatable Bond Count	0

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