6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine

C8H14N2S2 — CID 71022290

IUPAC6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
SMILESCSC1CCC2=C(C1)SC(N)N2
InChIInChI=1S/C8H14N2S2/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h5,8,10H,2-4,9H2,1H3
InChIKeyURJFIENXHJLNJZ-UHFFFAOYSA-N
MW202.35 g/mol
LogP1.69
Rot. Bonds1

About 6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine

6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine (PubChem CID 71022290) has the molecular formula C8H14N2S2 and a molecular weight of 202.35 g/mol. Its IUPAC name is 6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
PubChem CID71022290
Molecular FormulaC8H14N2S2
Molecular Weight202.35 g/mol
Exact Mass202.06
IUPAC Name6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
SMILESCSC1CCC2=C(C1)SC(N)N2
InChIInChI=1S/C8H14N2S2/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h5,8,10H,2-4,9H2,1H3
InChIKeyURJFIENXHJLNJZ-UHFFFAOYSA-N
XLogP1.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine (CID 71022290) is 6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine is CSC1CCC2=C(C1)SC(N)N2.
What is the InChIKey of 6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The InChIKey is URJFIENXHJLNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S2/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h5,8,10H,2-4,9H2,1H3.
What are the key properties of 6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine has a molecular weight of 202.35 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 71022290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).