ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate

C10H19NS — CID 123835011

IUPACethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate
SMILESCCS/C(=N\C=C(C)C)C(C)C
InChIInChI=1S/C10H19NS/c1-6-12-10(9(4)5)11-7-8(2)3/h7,9H,6H2,1-5H3/b11-10-
InChIKeyTZOZFWFYIDIDON-KHPPLWFESA-N
MW185.34 g/mol
LogP3.72
Rot. Bonds3

About ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate

ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate (PubChem CID 123835011) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate.

Molecular Properties

Compound Nameethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate
PubChem CID123835011
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Nameethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate
SMILESCCS/C(=N\C=C(C)C)C(C)C
InChIInChI=1S/C10H19NS/c1-6-12-10(9(4)5)11-7-8(2)3/h7,9H,6H2,1-5H3/b11-10-
InChIKeyTZOZFWFYIDIDON-KHPPLWFESA-N
XLogP3.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-diethyl-6H-1,3-thiazine
CID 123431282
methyl N-(2-ethylbut-1-enyl)propanimidothioate
CID 130256859
2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine
CID 142912442
2,5-dimethyl-6H-1,3-thiazine
CID 146435223
ethyl N-ethenyl-2-methylpropanimidothioate
CID 155264946
ethyl N-[(1Z)-2-ethylbuta-1,3-dienyl]propanimidothioate
CID 163880216
ethane;ethyl N-ethenyl-2-methylpropanimidothioate
CID 165132615
N-[(Z)-2-methyl-3-propylsulfanylprop-1-enyl]ethanimine
CID 167223519
6-Methyl-2-propan-2-yl-1-thia-3-azacyclohexa-2,4,5-triene
CID 169946485

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate?
The IUPAC name of ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate (CID 123835011) is ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate.
What is the SMILES notation for ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate?
The canonical SMILES for ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate is CCS/C(=N\C=C(C)C)C(C)C.
What is the InChIKey of ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate?
The InChIKey is TZOZFWFYIDIDON-KHPPLWFESA-N. The full InChI is InChI=1S/C10H19NS/c1-6-12-10(9(4)5)11-7-8(2)3/h7,9H,6H2,1-5H3/b11-10-.
What are the key properties of ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate?
ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate has a molecular weight of 185.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate is sourced from PubChem (CID 123835011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).