1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride

C10H12ClNS — CID 134989291

IUPAC1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride
SMILESCC(C)/N=C(\Cl)Sc1ccccc1
InChIInChI=1S/C10H12ClNS/c1-8(2)12-10(11)13-9-6-4-3-5-7-9/h3-8H,1-2H3/b12-10+
InChIKeyFFUNUYOMXBPNRL-ZRDIBKRKSA-N
MW213.73 g/mol
LogP3.78
Rot. Bonds2

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

1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride (PubChem CID 134989291) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is 1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride.

Molecular Properties

Compound Name1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride
PubChem CID134989291
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride
SMILESCC(C)/N=C(\Cl)Sc1ccccc1
InChIInChI=1S/C10H12ClNS/c1-8(2)12-10(11)13-9-6-4-3-5-7-9/h3-8H,1-2H3/b12-10+
InChIKeyFFUNUYOMXBPNRL-ZRDIBKRKSA-N
XLogP3.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 53.78
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-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride?
The IUPAC name of 1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride (CID 134989291) is 1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride.
What is the SMILES notation for 1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride?
The canonical SMILES for 1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride is CC(C)/N=C(\Cl)Sc1ccccc1.
What is the InChIKey of 1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride?
The InChIKey is FFUNUYOMXBPNRL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H12ClNS/c1-8(2)12-10(11)13-9-6-4-3-5-7-9/h3-8H,1-2H3/b12-10+.
What are the key properties of 1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride?
1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride has a molecular weight of 213.73 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride is sourced from PubChem (CID 134989291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).