2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole

C11H14N2S — CID 10703498

IUPAC2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole
SMILESCc1nc2c3c(sc2n1C)CCCC3
InChIInChI=1S/C11H14N2S/c1-7-12-10-8-5-3-4-6-9(8)14-11(10)13(7)2/h3-6H2,1-2H3
InChIKeySPROAZIZSJAAMV-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.82
Rot. Bonds

About 2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole

2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole (PubChem CID 10703498) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole.

Molecular Properties

Compound Name2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole
PubChem CID10703498
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole
SMILESCc1nc2c3c(sc2n1C)CCCC3
InChIInChI=1S/C11H14N2S/c1-7-12-10-8-5-3-4-6-9(8)14-11(10)13(7)2/h3-6H2,1-2H3
InChIKeySPROAZIZSJAAMV-UHFFFAOYSA-N
XLogP2.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene;ethane
CID 90932941
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 700882
3-methyl-7-(2-phenylethyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
CID 1299609
ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane
CID 143997008
3-methyl-7-phenyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
CID 658598
16-(4-methoxyphenyl)-12-methyl-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-17-one
CID 4128887
3-(2-methoxyethyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 18829709
1-methyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
CID 679510
2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole
CID 166685535
2,4-dimethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepine
CID 21139008
3-(2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 62696246
(4-chloro-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)methanol
CID 66603517

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole?
The IUPAC name of 2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole (CID 10703498) is 2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole.
What is the SMILES notation for 2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole?
The canonical SMILES for 2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole is Cc1nc2c3c(sc2n1C)CCCC3.
What is the InChIKey of 2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole?
The InChIKey is SPROAZIZSJAAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-7-12-10-8-5-3-4-6-9(8)14-11(10)13(7)2/h3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole?
2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole has a molecular weight of 206.31 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]imidazole is sourced from PubChem (CID 10703498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).