(1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane

C12H18N2S — CID 123597078

IUPAC(1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane
SMILESCc1nn(C)c2ccc(S(C)(C)C)cc12
InChIInChI=1S/C12H18N2S/c1-9-11-8-10(15(3,4)5)6-7-12(11)14(2)13-9/h6-8H,1-5H3
InChIKeyMCENVPNECBPSAG-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.93
Rot. Bonds1

About (1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane

(1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane (PubChem CID 123597078) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is (1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name(1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane
PubChem CID123597078
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name(1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane
SMILESCc1nn(C)c2ccc(S(C)(C)C)cc12
InChIInChI=1S/C12H18N2S/c1-9-11-8-10(15(3,4)5)6-7-12(11)14(2)13-9/h6-8H,1-5H3
InChIKeyMCENVPNECBPSAG-UHFFFAOYSA-N
XLogP2.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-isocyano-1,3-dimethylindazole
CID 58847572
1,3-dimethyl-5-propan-2-ylindazole;3-iodo-1-methyl-5-propan-2-ylindazole
CID 158986215
N'-hydroxy-1,3-dimethylindazole-5-carboximidamide
CID 134478014
azane;1,3-dimethylpyrazolo[4,5-c]pyridine
CID 175481142
6-fluoro-1,3-dimethylindazole
CID 59514053
6-bromo-1,3-dimethylindazole;ethane
CID 145062136
6-(2,2-dimethylpropyl)-1,3-dimethylindazole
CID 166958458
3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 135352500
5-bromo-1,3-dimethylindazole;1,3-dimethyl-5-[(3R)-3-methylpiperazin-1-yl]indazole
CID 69105747
[3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359748
5-amino-1,3-dimethylindazole-6-carbonitrile
CID 131443365
5-amino-1,3-dimethylindazole-6-carboxylic acid
CID 84722038

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane?
The IUPAC name of (1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane (CID 123597078) is (1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane.
What is the SMILES notation for (1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane?
The canonical SMILES for (1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane is Cc1nn(C)c2ccc(S(C)(C)C)cc12.
What is the InChIKey of (1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane?
The InChIKey is MCENVPNECBPSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-9-11-8-10(15(3,4)5)6-7-12(11)14(2)13-9/h6-8H,1-5H3.
What are the key properties of (1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane?
(1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane has a molecular weight of 222.36 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylindazol-5-yl)-trimethyl-λ4-sulfane is sourced from PubChem (CID 123597078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).