1-methylimino-4-propan-2-ylthiane

C9H19NS — CID 167079559

IUPAC1-methylimino-4-propan-2-ylthiane
SMILESCN=S1CCC(C(C)C)CC1
InChIInChI=1S/C9H19NS/c1-8(2)9-4-6-11(10-3)7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyKKXBSFDVEJVWIP-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.48
Rot. Bonds1

About 1-methylimino-4-propan-2-ylthiane

1-methylimino-4-propan-2-ylthiane (PubChem CID 167079559) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-methylimino-4-propan-2-ylthiane.

Molecular Properties

Compound Name1-methylimino-4-propan-2-ylthiane
PubChem CID167079559
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-methylimino-4-propan-2-ylthiane
SMILESCN=S1CCC(C(C)C)CC1
InChIInChI=1S/C9H19NS/c1-8(2)9-4-6-11(10-3)7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyKKXBSFDVEJVWIP-UHFFFAOYSA-N
XLogP2.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methylidene-4-propan-2-ylthiane
CID 161297374
propan-2-ylcyclopropane;hydroiodide
CID 162314014
N'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide
CID 65401999
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173
methane;propan-2-ylcyclotetradecane
CID 159882779
3-propan-2-ylbicyclo[3.1.1]heptane
CID 59796479
1-methylimino-4-propan-2-ylthiane 1-oxide
CID 164831352
4-propan-2-ylcyclohexan-1-ol
CID 159817143
CID 144671980
CID 144671980
propane;propan-2-ylcyclopentane
CID 91615250
propan-2-ylcyclohexane
CID 140720710
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994

Frequently Asked Questions

What is the IUPAC name of 1-methylimino-4-propan-2-ylthiane?
The IUPAC name of 1-methylimino-4-propan-2-ylthiane (CID 167079559) is 1-methylimino-4-propan-2-ylthiane.
What is the SMILES notation for 1-methylimino-4-propan-2-ylthiane?
The canonical SMILES for 1-methylimino-4-propan-2-ylthiane is CN=S1CCC(C(C)C)CC1.
What is the InChIKey of 1-methylimino-4-propan-2-ylthiane?
The InChIKey is KKXBSFDVEJVWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)9-4-6-11(10-3)7-5-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methylimino-4-propan-2-ylthiane?
1-methylimino-4-propan-2-ylthiane has a molecular weight of 173.32 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimino-4-propan-2-ylthiane is sourced from PubChem (CID 167079559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).