N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride

C10H10ClNS — CID 15020972

IUPACN-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride
SMILESCl/C(=N\C1CC1)Sc1ccccc1
InChIInChI=1S/C10H10ClNS/c11-10(12-8-6-7-8)13-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b12-10+
InChIKeyIPSIPBNUYSVVCI-ZRDIBKRKSA-N
MW211.72 g/mol
LogP3.54
Rot. Bonds2

About N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride

N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride (PubChem CID 15020972) has the molecular formula C10H10ClNS and a molecular weight of 211.72 g/mol. Its IUPAC name is N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride.

Molecular Properties

Compound NameN-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride
PubChem CID15020972
Molecular FormulaC10H10ClNS
Molecular Weight211.72 g/mol
Exact Mass211.02
IUPAC NameN-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride
SMILESCl/C(=N\C1CC1)Sc1ccccc1
InChIInChI=1S/C10H10ClNS/c11-10(12-8-6-7-8)13-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b12-10+
InChIKeyIPSIPBNUYSVVCI-ZRDIBKRKSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.72
LogP ≤ 53.54
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 N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride?
The IUPAC name of N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride (CID 15020972) is N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride.
What is the SMILES notation for N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride?
The canonical SMILES for N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride is Cl/C(=N\C1CC1)Sc1ccccc1.
What is the InChIKey of N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride?
The InChIKey is IPSIPBNUYSVVCI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H10ClNS/c11-10(12-8-6-7-8)13-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b12-10+.
What are the key properties of N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride?
N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride has a molecular weight of 211.72 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-phenylsulfanylmethanimidoyl chloride is sourced from PubChem (CID 15020972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).