methyl N-propan-2-ylmethanimidothioate

C5H11NS — CID 123922805

IUPACmethyl N-propan-2-ylmethanimidothioate
SMILESCS/C=N/C(C)C
InChIInChI=1S/C5H11NS/c1-5(2)6-4-7-3/h4-5H,1-3H3/b6-4+
InChIKeyIHDSQSFTUOJUMJ-GQCTYLIASA-N
MW117.22 g/mol
LogP1.79
Rot. Bonds2

About methyl N-propan-2-ylmethanimidothioate

methyl N-propan-2-ylmethanimidothioate (PubChem CID 123922805) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is methyl N-propan-2-ylmethanimidothioate.

Molecular Properties

Compound Namemethyl N-propan-2-ylmethanimidothioate
PubChem CID123922805
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Namemethyl N-propan-2-ylmethanimidothioate
SMILESCS/C=N/C(C)C
InChIInChI=1S/C5H11NS/c1-5(2)6-4-7-3/h4-5H,1-3H3/b6-4+
InChIKeyIHDSQSFTUOJUMJ-GQCTYLIASA-N
XLogP1.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.79
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

Carbonochloridimidothioic acid, (1-methylethyl)-, methyl ester
CID 10866530
N-butan-2-yl-1,1-bis(methylsulfanyl)methanimine
CID 13893694
1,1-bis(methylsulfanyl)-N-propan-2-ylmethanimine
CID 13902756
methyl N-cyclopropylmethanimidothioate
CID 68359924
propan-2-yl N-propan-2-ylmethanimidothioate
CID 88915719
methyl N-ethylmethanimidothioate
CID 89038999
methyl N-propylmethanimidothioate
CID 91469156
Methylidene-methylsulfanyl-propan-2-ylazanium
CID 123292505
Propan-2-yliminomethyl methanimidothioate
CID 134172357
methyl N-(1-cyanoethyl)methanimidothioate
CID 134581682
methyl N-butan-2-ylmethanimidothioate
CID 139375357
ethane;methyl N-ethylmethanimidothioate
CID 143333910

Frequently Asked Questions

What is the IUPAC name of methyl N-propan-2-ylmethanimidothioate?
The IUPAC name of methyl N-propan-2-ylmethanimidothioate (CID 123922805) is methyl N-propan-2-ylmethanimidothioate.
What is the SMILES notation for methyl N-propan-2-ylmethanimidothioate?
The canonical SMILES for methyl N-propan-2-ylmethanimidothioate is CS/C=N/C(C)C.
What is the InChIKey of methyl N-propan-2-ylmethanimidothioate?
The InChIKey is IHDSQSFTUOJUMJ-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11NS/c1-5(2)6-4-7-3/h4-5H,1-3H3/b6-4+.
What are the key properties of methyl N-propan-2-ylmethanimidothioate?
methyl N-propan-2-ylmethanimidothioate has a molecular weight of 117.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-propan-2-ylmethanimidothioate is sourced from PubChem (CID 123922805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).