1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride

C5H10ClNS — CID 10866530

IUPAC1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride
SMILESCS/C(Cl)=N/C(C)C
InChIInChI=1S/C5H10ClNS/c1-4(2)7-5(6)8-3/h4H,1-3H3/b7-5+
InChIKeyGFQZWXBDRYYVGU-FNORWQNLSA-N
MW151.66 g/mol
LogP2.35
Rot. Bonds1

About 1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride

1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride (PubChem CID 10866530) has the molecular formula C5H10ClNS and a molecular weight of 151.66 g/mol. Its IUPAC name is 1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride.

Molecular Properties

Compound Name1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride
PubChem CID10866530
Molecular FormulaC5H10ClNS
Molecular Weight151.66 g/mol
Exact Mass151.02
IUPAC Name1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride
SMILESCS/C(Cl)=N/C(C)C
InChIInChI=1S/C5H10ClNS/c1-4(2)7-5(6)8-3/h4H,1-3H3/b7-5+
InChIKeyGFQZWXBDRYYVGU-FNORWQNLSA-N
XLogP2.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.66
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride?
The IUPAC name of 1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride (CID 10866530) is 1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride.
What is the SMILES notation for 1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride?
The canonical SMILES for 1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride is CS/C(Cl)=N/C(C)C.
What is the InChIKey of 1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride?
The InChIKey is GFQZWXBDRYYVGU-FNORWQNLSA-N. The full InChI is InChI=1S/C5H10ClNS/c1-4(2)7-5(6)8-3/h4H,1-3H3/b7-5+.
What are the key properties of 1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride?
1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride has a molecular weight of 151.66 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-propan-2-ylmethanimidoyl chloride is sourced from PubChem (CID 10866530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).