(2-methylthian-4-yl)methanamine

C7H15NS — CID 83905002

IUPAC(2-methylthian-4-yl)methanamine
SMILESCC1CC(CN)CCS1
InChIInChI=1S/C7H15NS/c1-6-4-7(5-8)2-3-9-6/h6-7H,2-5,8H2,1H3
InChIKeyDVFRAZYQYQCZEQ-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.48
Rot. Bonds1

About (2-methylthian-4-yl)methanamine

(2-methylthian-4-yl)methanamine (PubChem CID 83905002) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (2-methylthian-4-yl)methanamine.

Molecular Properties

Compound Name(2-methylthian-4-yl)methanamine
PubChem CID83905002
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(2-methylthian-4-yl)methanamine
SMILESCC1CC(CN)CCS1
InChIInChI=1S/C7H15NS/c1-6-4-7(5-8)2-3-9-6/h6-7H,2-5,8H2,1H3
InChIKeyDVFRAZYQYQCZEQ-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylthian-4-yl)methanamine?
The IUPAC name of (2-methylthian-4-yl)methanamine (CID 83905002) is (2-methylthian-4-yl)methanamine.
What is the SMILES notation for (2-methylthian-4-yl)methanamine?
The canonical SMILES for (2-methylthian-4-yl)methanamine is CC1CC(CN)CCS1.
What is the InChIKey of (2-methylthian-4-yl)methanamine?
The InChIKey is DVFRAZYQYQCZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6-4-7(5-8)2-3-9-6/h6-7H,2-5,8H2,1H3.
What are the key properties of (2-methylthian-4-yl)methanamine?
(2-methylthian-4-yl)methanamine has a molecular weight of 145.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthian-4-yl)methanamine is sourced from PubChem (CID 83905002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).