dihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium

C7H17NO2PS+ — CID 56607784

IUPACdihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium
SMILES[H]/N=C(\C(C)(C)S)[P+](O)(O)C(C)C
InChIInChI=1S/C7H16NO2PS/c1-5(2)11(9,10)6(8)7(3,4)12/h5,8-10H,1-4H3/p+1/b8-6+
InChIKeyMXSFGFQYRIOBKC-SOFGYWHQSA-O
MW210.26 g/mol
LogP1.91
Rot. Bonds3

About dihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium

dihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium (PubChem CID 56607784) has the molecular formula C7H17NO2PS+ and a molecular weight of 210.26 g/mol. Its IUPAC name is dihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium.

Molecular Properties

Compound Namedihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium
PubChem CID56607784
Molecular FormulaC7H17NO2PS+
Molecular Weight210.26 g/mol
Exact Mass210.07
IUPAC Namedihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium
SMILES[H]/N=C(\C(C)(C)S)[P+](O)(O)C(C)C
InChIInChI=1S/C7H16NO2PS/c1-5(2)11(9,10)6(8)7(3,4)12/h5,8-10H,1-4H3/p+1/b8-6+
InChIKeyMXSFGFQYRIOBKC-SOFGYWHQSA-O
XLogP1.91
TPSA64.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-imino-2-methylbutane-2-thiol
CID 135392090
4-imino-3,5-dimethylhexan-2-ol
CID 158629570
6-fluoro-4,5-diimino-3,6-dimethylhept-1-ene-2-thiol
CID 166723628
2-(ditert-butylamino)-2-iminoacetic acid
CID 87352369
2,2,5,5-tetramethylhexane-3,4-diimine
CID 21281613
(1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol
CID 89174988
(2R)-2-hydroxypropanimidamide;hydrochloride
CID 42614222
3,4-dimethyl-3-sulfanylpentan-2-one
CID 88635465
propan-2-yl 2-imino-3-methylbutanoate
CID 90949713
2,2,5-trimethylhexane-3,4-diol
CID 103456431
3-methylbutan-2-imine
CID 20811318
2,3-dimethyl-2-sulfanylbutanamide
CID 55284967

Frequently Asked Questions

What is the IUPAC name of dihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium?
The IUPAC name of dihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium (CID 56607784) is dihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium.
What is the SMILES notation for dihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium?
The canonical SMILES for dihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium is [H]/N=C(\C(C)(C)S)[P+](O)(O)C(C)C.
What is the InChIKey of dihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium?
The InChIKey is MXSFGFQYRIOBKC-SOFGYWHQSA-O. The full InChI is InChI=1S/C7H16NO2PS/c1-5(2)11(9,10)6(8)7(3,4)12/h5,8-10H,1-4H3/p+1/b8-6+.
What are the key properties of dihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium?
dihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium has a molecular weight of 210.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(2-methyl-2-sulfanylpropanimidoyl)-propan-2-ylphosphanium is sourced from PubChem (CID 56607784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).