lithium 2-propyl-1,3-benzothiazole

C10H10LiNS — CID 134890790

IUPAClithium 2-propyl-1,3-benzothiazole
SMILESC[CH-]Cc1nc2ccccc2s1.[Li+]
InChIInChI=1S/C10H10NS.Li/c1-2-5-10-11-8-6-3-4-7-9(8)12-10;/h2-4,6-7H,5H2,1H3;/q-1;+1
InChIKeyYJOAWMPELXWLFS-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.07
Rot. Bonds2

About lithium 2-propyl-1,3-benzothiazole

lithium 2-propyl-1,3-benzothiazole (PubChem CID 134890790) has the molecular formula C10H10LiNS and a molecular weight of 183.21 g/mol. Its IUPAC name is lithium 2-propyl-1,3-benzothiazole.

Molecular Properties

Compound Namelithium 2-propyl-1,3-benzothiazole
PubChem CID134890790
Molecular FormulaC10H10LiNS
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Namelithium 2-propyl-1,3-benzothiazole
SMILESC[CH-]Cc1nc2ccccc2s1.[Li+]
InChIInChI=1S/C10H10NS.Li/c1-2-5-10-11-8-6-3-4-7-9(8)12-10;/h2-4,6-7H,5H2,1H3;/q-1;+1
InChIKeyYJOAWMPELXWLFS-UHFFFAOYSA-N
XLogP0.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
2-ethyl-1,3-benzothiazole
CID 123878265
2-(4,4-dimethylpentyl)-1,3-benzothiazole
CID 129255452
2-(4-chlorobutyl)-1,3-benzothiazole
CID 28972434
2-(4-iodobutyl)-1,3-benzothiazole
CID 148618103
1,3-benzothiazol-2-ylmethanesulfonamide
CID 79818870
1,3-benzothiazol-2-ylmethylsulfanylmethanethiol
CID 152704956
N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide
CID 60681450
2-prop-2-ynyl-1,3-benzothiazole
CID 79818504
2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
3-(1,3-benzothiazol-2-ylmethyl)pentan-3-amine
CID 79818843
1,3-benzothiazol-2-ylmethyl(diethoxy)phosphane
CID 118336965

Frequently Asked Questions

What is the IUPAC name of lithium 2-propyl-1,3-benzothiazole?
The IUPAC name of lithium 2-propyl-1,3-benzothiazole (CID 134890790) is lithium 2-propyl-1,3-benzothiazole.
What is the SMILES notation for lithium 2-propyl-1,3-benzothiazole?
The canonical SMILES for lithium 2-propyl-1,3-benzothiazole is C[CH-]Cc1nc2ccccc2s1.[Li+].
What is the InChIKey of lithium 2-propyl-1,3-benzothiazole?
The InChIKey is YJOAWMPELXWLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NS.Li/c1-2-5-10-11-8-6-3-4-7-9(8)12-10;/h2-4,6-7H,5H2,1H3;/q-1;+1.
What are the key properties of lithium 2-propyl-1,3-benzothiazole?
lithium 2-propyl-1,3-benzothiazole has a molecular weight of 183.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-propyl-1,3-benzothiazole is sourced from PubChem (CID 134890790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).