4-methylsulfanylcyclohexa-1,3-dien-1-amine

C7H11NS — CID 144669289

IUPAC4-methylsulfanylcyclohexa-1,3-dien-1-amine
SMILESCSC1=CC=C(N)CC1
InChIInChI=1S/C7H11NS/c1-9-7-4-2-6(8)3-5-7/h2,4H,3,5,8H2,1H3
InChIKeyHSPRICVSCTZVOD-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.87
Rot. Bonds1

About 4-methylsulfanylcyclohexa-1,3-dien-1-amine

4-methylsulfanylcyclohexa-1,3-dien-1-amine (PubChem CID 144669289) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 4-methylsulfanylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-methylsulfanylcyclohexa-1,3-dien-1-amine
PubChem CID144669289
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name4-methylsulfanylcyclohexa-1,3-dien-1-amine
SMILESCSC1=CC=C(N)CC1
InChIInChI=1S/C7H11NS/c1-9-7-4-2-6(8)3-5-7/h2,4H,3,5,8H2,1H3
InChIKeyHSPRICVSCTZVOD-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-methylsulfanylcyclohexa-1,3-dien-1-amine (CID 144669289) is 4-methylsulfanylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-methylsulfanylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-methylsulfanylcyclohexa-1,3-dien-1-amine is CSC1=CC=C(N)CC1.
What is the InChIKey of 4-methylsulfanylcyclohexa-1,3-dien-1-amine?
The InChIKey is HSPRICVSCTZVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-9-7-4-2-6(8)3-5-7/h2,4H,3,5,8H2,1H3.
What are the key properties of 4-methylsulfanylcyclohexa-1,3-dien-1-amine?
4-methylsulfanylcyclohexa-1,3-dien-1-amine has a molecular weight of 141.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 144669289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).