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

C8H15NS — CID 144669288

IUPACmethane;4-methylsulfanylcyclohexa-1,3-dien-1-amine
SMILESC.CSC1=CC=C(N)CC1
InChIInChI=1S/C7H11NS.CH4/c1-9-7-4-2-6(8)3-5-7;/h2,4H,3,5,8H2,1H3;1H4
InChIKeyIMRFXWILMNGZIG-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.51
Rot. Bonds1

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

methane;4-methylsulfanylcyclohexa-1,3-dien-1-amine (PubChem CID 144669288) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is methane;4-methylsulfanylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Namemethane;4-methylsulfanylcyclohexa-1,3-dien-1-amine
PubChem CID144669288
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Namemethane;4-methylsulfanylcyclohexa-1,3-dien-1-amine
SMILESC.CSC1=CC=C(N)CC1
InChIInChI=1S/C7H11NS.CH4/c1-9-7-4-2-6(8)3-5-7;/h2,4H,3,5,8H2,1H3;1H4
InChIKeyIMRFXWILMNGZIG-UHFFFAOYSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;4-methylsulfanylcyclohexa-1,3-dien-1-amine?
The IUPAC name of methane;4-methylsulfanylcyclohexa-1,3-dien-1-amine (CID 144669288) is methane;4-methylsulfanylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for methane;4-methylsulfanylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for methane;4-methylsulfanylcyclohexa-1,3-dien-1-amine is C.CSC1=CC=C(N)CC1.
What is the InChIKey of methane;4-methylsulfanylcyclohexa-1,3-dien-1-amine?
The InChIKey is IMRFXWILMNGZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.CH4/c1-9-7-4-2-6(8)3-5-7;/h2,4H,3,5,8H2,1H3;1H4.
What are the key properties of methane;4-methylsulfanylcyclohexa-1,3-dien-1-amine?
methane;4-methylsulfanylcyclohexa-1,3-dien-1-amine has a molecular weight of 157.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methylsulfanylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 144669288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).