6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine

C8H7ClN2S2 — CID 30029869

IUPAC6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine
SMILESCSc1cc(Cl)cc2sc(N)nc12
InChIInChI=1S/C8H7ClN2S2/c1-12-5-2-4(9)3-6-7(5)11-8(10)13-6/h2-3H,1H3,(H2,10,11)
InChIKeyTWXATGRHGWWYMH-UHFFFAOYSA-N
MW230.75 g/mol
LogP3.25
Rot. Bonds1

About 6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine

6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine (PubChem CID 30029869) has the molecular formula C8H7ClN2S2 and a molecular weight of 230.75 g/mol. Its IUPAC name is 6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine
PubChem CID30029869
Molecular FormulaC8H7ClN2S2
Molecular Weight230.75 g/mol
Exact Mass229.97
IUPAC Name6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine
SMILESCSc1cc(Cl)cc2sc(N)nc12
InChIInChI=1S/C8H7ClN2S2/c1-12-5-2-4(9)3-6-7(5)11-8(10)13-6/h2-3H,1H3,(H2,10,11)
InChIKeyTWXATGRHGWWYMH-UHFFFAOYSA-N
XLogP3.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol
CID 138714330
4-chloro-6-ethyl-1,3-benzothiazol-2-amine
CID 30029861
6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene
CID 130901229
(6-chloro-2-methylsulfanyl-1,3-benzothiazol-4-yl)boronic acid
CID 75485857
5-chloro-2-fluoro-3-methylsulfanylaniline
CID 83410374
5-chloro-4-methyl-1,3-benzothiazol-2-amine
CID 1180481
4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
CID 153383265
6-bromo-4-methyl-1,3-benzothiazol-2-amine
CID 17244948
ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine
CID 143324079
2-chloro-4-methylsulfanyl-1,3-benzothiazole
CID 70371093
1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol
CID 134180669
2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol
CID 138714038

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine (CID 30029869) is 6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine is CSc1cc(Cl)cc2sc(N)nc12.
What is the InChIKey of 6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine?
The InChIKey is TWXATGRHGWWYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S2/c1-12-5-2-4(9)3-6-7(5)11-8(10)13-6/h2-3H,1H3,(H2,10,11).
What are the key properties of 6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine?
6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine has a molecular weight of 230.75 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 30029869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).