2-tert-butylsulfanyl-1-methylimidazole

C8H14N2S — CID 10261609

IUPAC2-tert-butylsulfanyl-1-methylimidazole
SMILESCn1ccnc1SC(C)(C)C
InChIInChI=1S/C8H14N2S/c1-8(2,3)11-7-9-5-6-10(7)4/h5-6H,1-4H3
InChIKeyMYFBFSXUSNQNBO-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.31
Rot. Bonds1

About 2-tert-butylsulfanyl-1-methylimidazole

2-tert-butylsulfanyl-1-methylimidazole (PubChem CID 10261609) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-1-methylimidazole.

Molecular Properties

Compound Name2-tert-butylsulfanyl-1-methylimidazole
PubChem CID10261609
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-tert-butylsulfanyl-1-methylimidazole
SMILESCn1ccnc1SC(C)(C)C
InChIInChI=1S/C8H14N2S/c1-8(2,3)11-7-9-5-6-10(7)4/h5-6H,1-4H3
InChIKeyMYFBFSXUSNQNBO-UHFFFAOYSA-N
XLogP2.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bromo(difluoro)methyl]sulfanyl-1-methylimidazole
CID 12670653
2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
CID 64819737
2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine
CID 61385863
1-methyl-2-[4-(1-methylimidazol-2-yl)sulfanylbut-2-ynylsulfanyl]imidazole
CID 11837105
methyl 2,2-dimethyl-3-(1-methylimidazol-2-yl)sulfanylpropanoate
CID 79622717
3,3-dimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]butan-1-amine
CID 60697535
trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide
CID 63702614
N-tert-butyl-4-(1-methylimidazol-2-yl)sulfanylbutan-1-amine
CID 62577482
1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 64621367
1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine
CID 64621169
1-methyl-2-pent-3-ynylsulfanylimidazole
CID 130645056
2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine
CID 65498174

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-1-methylimidazole?
The IUPAC name of 2-tert-butylsulfanyl-1-methylimidazole (CID 10261609) is 2-tert-butylsulfanyl-1-methylimidazole.
What is the SMILES notation for 2-tert-butylsulfanyl-1-methylimidazole?
The canonical SMILES for 2-tert-butylsulfanyl-1-methylimidazole is Cn1ccnc1SC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-1-methylimidazole?
The InChIKey is MYFBFSXUSNQNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-8(2,3)11-7-9-5-6-10(7)4/h5-6H,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-1-methylimidazole?
2-tert-butylsulfanyl-1-methylimidazole has a molecular weight of 170.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-1-methylimidazole is sourced from PubChem (CID 10261609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).