[(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite

C4H8INOS2 — CID 118192238

IUPAC[(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite
SMILESCSC/C(CS)=N\OI
InChIInChI=1S/C4H8INOS2/c1-9-3-4(2-8)6-7-5/h8H,2-3H2,1H3/b6-4-
InChIKeyJCZPVSLWIKSSQX-XQRVVYSFSA-N
MW277.15 g/mol
LogP2.00
Rot. Bonds4

About [(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite

[(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite (PubChem CID 118192238) has the molecular formula C4H8INOS2 and a molecular weight of 277.15 g/mol. Its IUPAC name is [(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite.

Molecular Properties

Compound Name[(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite
PubChem CID118192238
Molecular FormulaC4H8INOS2
Molecular Weight277.15 g/mol
Exact Mass276.91
IUPAC Name[(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite
SMILESCSC/C(CS)=N\OI
InChIInChI=1S/C4H8INOS2/c1-9-3-4(2-8)6-7-5/h8H,2-3H2,1H3/b6-4-
InChIKeyJCZPVSLWIKSSQX-XQRVVYSFSA-N
XLogP2.00
TPSA21.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-(1-methylsulfanylpropan-2-ylidene)hydroxylamine
CID 87381989
[1,3-Bis(methylsulfanyl)propan-2-ylideneamino] hypoiodite
CID 118192292
N-methoxy-1,3-bis(methylsulfanyl)propan-2-imine
CID 118585398
[1,3-Bis(ethylsulfanyl)propan-2-ylideneamino] hypoiodite
CID 121327523
[(E)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite
CID 121327536
[(Z)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite
CID 129098469
[(Z)-(1-tert-butylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite
CID 129098638
[(Z)-(1-ethylsulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite
CID 129099235
[(E)-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite
CID 129099301
N-(1-methylsulfanylpropan-2-ylidene)hydroxylamine
CID 131102355
[(Z)-(1-iodosulfanyl-3-methylsulfanylpropan-2-ylidene)amino] hypoiodite
CID 132109441
(2Z)-2-methoxyimino-3-methylsulfanylpropane-1-thiol
CID 132109464

Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite?
The IUPAC name of [(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite (CID 118192238) is [(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite.
What is the SMILES notation for [(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite?
The canonical SMILES for [(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite is CSC/C(CS)=N\OI.
What is the InChIKey of [(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite?
The InChIKey is JCZPVSLWIKSSQX-XQRVVYSFSA-N. The full InChI is InChI=1S/C4H8INOS2/c1-9-3-4(2-8)6-7-5/h8H,2-3H2,1H3/b6-4-.
What are the key properties of [(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite?
[(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite has a molecular weight of 277.15 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-methylsulfanyl-3-sulfanylpropan-2-ylidene)amino] hypoiodite is sourced from PubChem (CID 118192238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).