ethane;2-methyl-2,3-dihydro-1,3-benzothiazole

C14H27NS — CID 145235335

IUPACethane;2-methyl-2,3-dihydro-1,3-benzothiazole
SMILESCC.CC.CC.CC1Nc2ccccc2S1
InChIInChI=1S/C8H9NS.3C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;3*1-2/h2-6,9H,1H3;3*1-2H3
InChIKeySFMNNANLOXFQES-UHFFFAOYSA-N
MW241.44 g/mol
LogP5.63
Rot. Bonds

About ethane;2-methyl-2,3-dihydro-1,3-benzothiazole

ethane;2-methyl-2,3-dihydro-1,3-benzothiazole (PubChem CID 145235335) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is ethane;2-methyl-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Nameethane;2-methyl-2,3-dihydro-1,3-benzothiazole
PubChem CID145235335
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Nameethane;2-methyl-2,3-dihydro-1,3-benzothiazole
SMILESCC.CC.CC.CC1Nc2ccccc2S1
InChIInChI=1S/C8H9NS.3C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;3*1-2/h2-6,9H,1H3;3*1-2H3
InChIKeySFMNNANLOXFQES-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.44
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1,3-benzothiazol-2-yldisulfanyl)-2,3-dihydro-1,3-benzothiazole;ethane
CID 91078039
(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole
CID 92543565
ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole
CID 142049429
N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine
CID 146243816
2-methyl-2,3-dihydro-1,3-benzothiazin-4-one
CID 59509224
4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane
CID 178049354
(2R)-2-phenyl-2,3-dihydro-1,3-benzothiazole
CID 92935373
bis(2,3-dihydro-1,3-benzothiazol-2-yl)methanethione
CID 175478062
2-methyl-4H-1,4-benzothiazine-3-thione
CID 84614586
(3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine
CID 177471247
1-(2,3-dihydro-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-one
CID 140594652
2-methyl-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid
CID 129147850

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of ethane;2-methyl-2,3-dihydro-1,3-benzothiazole (CID 145235335) is ethane;2-methyl-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for ethane;2-methyl-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for ethane;2-methyl-2,3-dihydro-1,3-benzothiazole is CC.CC.CC.CC1Nc2ccccc2S1.
What is the InChIKey of ethane;2-methyl-2,3-dihydro-1,3-benzothiazole?
The InChIKey is SFMNNANLOXFQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS.3C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;3*1-2/h2-6,9H,1H3;3*1-2H3.
What are the key properties of ethane;2-methyl-2,3-dihydro-1,3-benzothiazole?
ethane;2-methyl-2,3-dihydro-1,3-benzothiazole has a molecular weight of 241.44 g/mol, XLogP of 5.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 145235335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).