N-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine

C8H9NS — CID 170407358

IUPACN-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine
SMILESCNC1=CC=CSC2=C1C2
InChIInChI=1S/C8H9NS/c1-9-7-3-2-4-10-8-5-6(7)8/h2-4,9H,5H2,1H3
InChIKeyCAZNHYQDHILDRQ-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.01
Rot. Bonds1

About N-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine

N-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine (PubChem CID 170407358) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is N-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine.

Molecular Properties

Compound NameN-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine
PubChem CID170407358
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC NameN-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine
SMILESCNC1=CC=CSC2=C1C2
InChIInChI=1S/C8H9NS/c1-9-7-3-2-4-10-8-5-6(7)8/h2-4,9H,5H2,1H3
InChIKeyCAZNHYQDHILDRQ-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine?
The IUPAC name of N-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine (CID 170407358) is N-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine.
What is the SMILES notation for N-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine?
The canonical SMILES for N-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine is CNC1=CC=CSC2=C1C2.
What is the InChIKey of N-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine?
The InChIKey is CAZNHYQDHILDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-9-7-3-2-4-10-8-5-6(7)8/h2-4,9H,5H2,1H3.
What are the key properties of N-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine?
N-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine has a molecular weight of 151.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine is sourced from PubChem (CID 170407358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).