methylsulfanyl N-prop-1-enylethanimidothioate

C6H11NS2 — CID 123678043

IUPACmethylsulfanyl N-prop-1-enylethanimidothioate
SMILESCC=C/N=C(\C)SSC
InChIInChI=1S/C6H11NS2/c1-4-5-7-6(2)9-8-3/h4-5H,1-3H3/b5-4?,7-6+
InChIKeyMKSVOZQCASHMCE-VFABXPAXSA-N
MW161.29 g/mol
LogP2.95
Rot. Bonds2

About methylsulfanyl N-prop-1-enylethanimidothioate

methylsulfanyl N-prop-1-enylethanimidothioate (PubChem CID 123678043) has the molecular formula C6H11NS2 and a molecular weight of 161.29 g/mol. Its IUPAC name is methylsulfanyl N-prop-1-enylethanimidothioate.

Molecular Properties

Compound Namemethylsulfanyl N-prop-1-enylethanimidothioate
PubChem CID123678043
Molecular FormulaC6H11NS2
Molecular Weight161.29 g/mol
Exact Mass161.03
IUPAC Namemethylsulfanyl N-prop-1-enylethanimidothioate
SMILESCC=C/N=C(\C)SSC
InChIInChI=1S/C6H11NS2/c1-4-5-7-6(2)9-8-3/h4-5H,1-3H3/b5-4?,7-6+
InChIKeyMKSVOZQCASHMCE-VFABXPAXSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(Z)-but-1-enyl]ethanimidothioate
CID 139305459
ethane;sulfanyl N-[(E)-prop-1-enyl]methanimidothioate
CID 143918430
methylsulfanyl N-ethenylprop-2-enimidothioate
CID 144050336
methyl N-ethenylprop-2-enimidothioate
CID 144186003
2-(butan-2-yldisulfanyl)-3H-pyrrole
CID 149514226
[(E)-prop-1-enyl] N-[(Z)-prop-1-enyl]ethanimidothioate
CID 153380573
2-(Methyldisulfanyl)-3,4-dihydropyridine
CID 156040464
methylsulfanyl (Z)-N-ethenylbut-2-enimidothioate
CID 163878743
methyl N-prop-1-enylethanimidothioate
CID 173482045
N-[(E)-1-(methyldisulfanyl)prop-1-enyl]prop-2-en-1-imine
CID 173912372
methyl N-[(1Z)-buta-1,3-dienyl]ethanimidothioate
CID 174288139
methylsulfanyl (Z)-N-ethylbut-2-enimidothioate
CID 141779160

Frequently Asked Questions

What is the IUPAC name of methylsulfanyl N-prop-1-enylethanimidothioate?
The IUPAC name of methylsulfanyl N-prop-1-enylethanimidothioate (CID 123678043) is methylsulfanyl N-prop-1-enylethanimidothioate.
What is the SMILES notation for methylsulfanyl N-prop-1-enylethanimidothioate?
The canonical SMILES for methylsulfanyl N-prop-1-enylethanimidothioate is CC=C/N=C(\C)SSC.
What is the InChIKey of methylsulfanyl N-prop-1-enylethanimidothioate?
The InChIKey is MKSVOZQCASHMCE-VFABXPAXSA-N. The full InChI is InChI=1S/C6H11NS2/c1-4-5-7-6(2)9-8-3/h4-5H,1-3H3/b5-4?,7-6+.
What are the key properties of methylsulfanyl N-prop-1-enylethanimidothioate?
methylsulfanyl N-prop-1-enylethanimidothioate has a molecular weight of 161.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl N-prop-1-enylethanimidothioate is sourced from PubChem (CID 123678043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).