6-ethyl-1,2-benzothiazole;propane

C12H17NS — CID 142320291

IUPAC6-ethyl-1,2-benzothiazole;propane
SMILESCCC.CCc1ccc2cnsc2c1
InChIInChI=1S/C9H9NS.C3H8/c1-2-7-3-4-8-6-10-11-9(8)5-7;1-3-2/h3-6H,2H2,1H3;3H2,1-2H3
InChIKeyFSQBLVVRAQAIMW-UHFFFAOYSA-N
MW207.34 g/mol
LogP4.28
Rot. Bonds1

About 6-ethyl-1,2-benzothiazole;propane

6-ethyl-1,2-benzothiazole;propane (PubChem CID 142320291) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 6-ethyl-1,2-benzothiazole;propane.

Molecular Properties

Compound Name6-ethyl-1,2-benzothiazole;propane
PubChem CID142320291
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name6-ethyl-1,2-benzothiazole;propane
SMILESCCC.CCc1ccc2cnsc2c1
InChIInChI=1S/C9H9NS.C3H8/c1-2-7-3-4-8-6-10-11-9(8)5-7;1-3-2/h3-6H,2H2,1H3;3H2,1-2H3
InChIKeyFSQBLVVRAQAIMW-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-1,2-benzothiazole
CID 70295455
3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine
CID 83883007
1,2-benzothiazol-6-ol
CID 135742002
2-(1,2-benzothiazol-6-yl)propan-1-ol
CID 117283915
5-(chloromethyl)-1,2-benzothiazole
CID 121231926
1,2-benzothiazole-6-carbonitrile
CID 69163321
3,6-diethylquinoline
CID 82111628
1,2-benzothiazole-6-sulfinate
CID 68530575
ethane;6-ethyl-3-methyl-1,2-benzothiazole
CID 90929193
2,6-bis(6-ethylnaphthalen-2-yl)anthracene
CID 59141275
6-ethyl-2-[(6-ethyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 18330964
(6-ethylnaphthalen-2-yl)methyl-trimethylsilane
CID 134960161

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,2-benzothiazole;propane?
The IUPAC name of 6-ethyl-1,2-benzothiazole;propane (CID 142320291) is 6-ethyl-1,2-benzothiazole;propane.
What is the SMILES notation for 6-ethyl-1,2-benzothiazole;propane?
The canonical SMILES for 6-ethyl-1,2-benzothiazole;propane is CCC.CCc1ccc2cnsc2c1.
What is the InChIKey of 6-ethyl-1,2-benzothiazole;propane?
The InChIKey is FSQBLVVRAQAIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS.C3H8/c1-2-7-3-4-8-6-10-11-9(8)5-7;1-3-2/h3-6H,2H2,1H3;3H2,1-2H3.
What are the key properties of 6-ethyl-1,2-benzothiazole;propane?
6-ethyl-1,2-benzothiazole;propane has a molecular weight of 207.34 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,2-benzothiazole;propane is sourced from PubChem (CID 142320291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).