2-propan-2-yl-5-tritio-1,3-benzothiazole

C10H11NS — CID 155790204

IUPAC2-propan-2-yl-5-tritio-1,3-benzothiazole
SMILES[3H]c1ccc2sc(C(C)C)nc2c1
InChIInChI=1S/C10H11NS/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3/i3T
InChIKeyNFRMLNPNLJBPOL-WJULDGBESA-N
MW179.28 g/mol
LogP3.42
Rot. Bonds1

About 2-propan-2-yl-5-tritio-1,3-benzothiazole

2-propan-2-yl-5-tritio-1,3-benzothiazole (PubChem CID 155790204) has the molecular formula C10H11NS and a molecular weight of 179.28 g/mol. Its IUPAC name is 2-propan-2-yl-5-tritio-1,3-benzothiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-tritio-1,3-benzothiazole
PubChem CID155790204
Molecular FormulaC10H11NS
Molecular Weight179.28 g/mol
Exact Mass179.07
IUPAC Name2-propan-2-yl-5-tritio-1,3-benzothiazole
SMILES[3H]c1ccc2sc(C(C)C)nc2c1
InChIInChI=1S/C10H11NS/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3/i3T
InChIKeyNFRMLNPNLJBPOL-WJULDGBESA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
6-chloro-2-propan-2-yl-1,3-benzothiazole
CID 18340659
2-propan-2-yl-1,3-benzothiazol-5-amine
CID 69263682
(2R,3R)-3-(1,3-benzothiazol-2-yl)butan-2-ol
CID 95030552
1-methyl-3-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrazol-5-amine
CID 117433998
2-[1-[2-(1,3-benzothiazol-2-yl)propyldisulfanyl]propan-2-yl]-1,3-benzothiazole
CID 139653481
5-(3-methylsulfanylphenyl)-2-propan-2-yl-1,3-benzothiazole
CID 123377831
5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole
CID 134533017
2-propan-2-yl-1,3-benzothiazol-4-amine
CID 83818222
(1S,2R)-1-(1,3-benzothiazol-2-yl)-2-methylbut-3-en-1-ol
CID 10856987
1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine
CID 67137210
1-(1,3-benzothiazol-2-yl)-3-phenylbutan-1-amine
CID 61100465

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-tritio-1,3-benzothiazole?
The IUPAC name of 2-propan-2-yl-5-tritio-1,3-benzothiazole (CID 155790204) is 2-propan-2-yl-5-tritio-1,3-benzothiazole.
What is the SMILES notation for 2-propan-2-yl-5-tritio-1,3-benzothiazole?
The canonical SMILES for 2-propan-2-yl-5-tritio-1,3-benzothiazole is [3H]c1ccc2sc(C(C)C)nc2c1.
What is the InChIKey of 2-propan-2-yl-5-tritio-1,3-benzothiazole?
The InChIKey is NFRMLNPNLJBPOL-WJULDGBESA-N. The full InChI is InChI=1S/C10H11NS/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3/i3T.
What are the key properties of 2-propan-2-yl-5-tritio-1,3-benzothiazole?
2-propan-2-yl-5-tritio-1,3-benzothiazole has a molecular weight of 179.28 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-tritio-1,3-benzothiazole is sourced from PubChem (CID 155790204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).