2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol

C7H12N2OS — CID 173250039

IUPAC2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)Sc1ncc[nH]1
InChIInChI=1S/C7H12N2OS/c1-7(2,5-10)11-6-8-3-4-9-6/h3-4,10H,5H2,1-2H3,(H,8,9)
InChIKeyZEKJYMCQNDHJHM-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.27
Rot. Bonds3

About 2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol

2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol (PubChem CID 173250039) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol
PubChem CID173250039
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)Sc1ncc[nH]1
InChIInChI=1S/C7H12N2OS/c1-7(2,5-10)11-6-8-3-4-9-6/h3-4,10H,5H2,1-2H3,(H,8,9)
InChIKeyZEKJYMCQNDHJHM-UHFFFAOYSA-N
XLogP1.27
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol
CID 107783953
4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 107784596
4-(1H-imidazol-2-ylsulfanyl)butan-1-ol
CID 107780906
3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 19031092
methyl 3-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylpropanoate
CID 103351434
2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 107784621
1H-imidazol-2-yl thiohypobromite
CID 87059212
N-tert-butyl-2-(1H-imidazol-2-ylsulfanylmethyl)prop-2-en-1-amine
CID 107781380
2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 107784607
4-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylbutanenitrile
CID 103705449
[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol
CID 107783417
2-(5-iodopyrimidin-2-yl)sulfanyl-2-methylpropan-1-ol
CID 131176128

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol (CID 173250039) is 2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol is CC(C)(CO)Sc1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol?
The InChIKey is ZEKJYMCQNDHJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-7(2,5-10)11-6-8-3-4-9-6/h3-4,10H,5H2,1-2H3,(H,8,9).
What are the key properties of 2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol?
2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol is sourced from PubChem (CID 173250039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).