O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate

C9H19NOS2 — CID 175159823

IUPACO-[di(propan-2-yl)amino] ethylsulfanylmethanethioate
SMILESCCSC(=S)ON(C(C)C)C(C)C
InChIInChI=1S/C9H19NOS2/c1-6-13-9(12)11-10(7(2)3)8(4)5/h7-8H,6H2,1-5H3
InChIKeyHJCDIIAFBACIIA-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.07
Rot. Bonds4

About O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate

O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate (PubChem CID 175159823) has the molecular formula C9H19NOS2 and a molecular weight of 221.39 g/mol. Its IUPAC name is O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate.

Molecular Properties

Compound NameO-[di(propan-2-yl)amino] ethylsulfanylmethanethioate
PubChem CID175159823
Molecular FormulaC9H19NOS2
Molecular Weight221.39 g/mol
Exact Mass221.09
IUPAC NameO-[di(propan-2-yl)amino] ethylsulfanylmethanethioate
SMILESCCSC(=S)ON(C(C)C)C(C)C
InChIInChI=1S/C9H19NOS2/c1-6-13-9(12)11-10(7(2)3)8(4)5/h7-8H,6H2,1-5H3
InChIKeyHJCDIIAFBACIIA-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate?
The IUPAC name of O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate (CID 175159823) is O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate.
What is the SMILES notation for O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate?
The canonical SMILES for O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate is CCSC(=S)ON(C(C)C)C(C)C.
What is the InChIKey of O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate?
The InChIKey is HJCDIIAFBACIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS2/c1-6-13-9(12)11-10(7(2)3)8(4)5/h7-8H,6H2,1-5H3.
What are the key properties of O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate?
O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate has a molecular weight of 221.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate is sourced from PubChem (CID 175159823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).