(4-benzylsulfanylthian-4-yl)methanamine

C13H19NS2 — CID 59136070

IUPAC(4-benzylsulfanylthian-4-yl)methanamine
SMILESNCC1(SCc2ccccc2)CCSCC1
InChIInChI=1S/C13H19NS2/c14-11-13(6-8-15-9-7-13)16-10-12-4-2-1-3-5-12/h1-5H,6-11,14H2
InChIKeyARBZGDHMIPMWHS-UHFFFAOYSA-N
MW253.44 g/mol
LogP3.14
Rot. Bonds4

About (4-benzylsulfanylthian-4-yl)methanamine

(4-benzylsulfanylthian-4-yl)methanamine (PubChem CID 59136070) has the molecular formula C13H19NS2 and a molecular weight of 253.44 g/mol. Its IUPAC name is (4-benzylsulfanylthian-4-yl)methanamine.

Molecular Properties

Compound Name(4-benzylsulfanylthian-4-yl)methanamine
PubChem CID59136070
Molecular FormulaC13H19NS2
Molecular Weight253.44 g/mol
Exact Mass253.10
IUPAC Name(4-benzylsulfanylthian-4-yl)methanamine
SMILESNCC1(SCc2ccccc2)CCSCC1
InChIInChI=1S/C13H19NS2/c14-11-13(6-8-15-9-7-13)16-10-12-4-2-1-3-5-12/h1-5H,6-11,14H2
InChIKeyARBZGDHMIPMWHS-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylsulfanylthian-4-yl)methanamine?
The IUPAC name of (4-benzylsulfanylthian-4-yl)methanamine (CID 59136070) is (4-benzylsulfanylthian-4-yl)methanamine.
What is the SMILES notation for (4-benzylsulfanylthian-4-yl)methanamine?
The canonical SMILES for (4-benzylsulfanylthian-4-yl)methanamine is NCC1(SCc2ccccc2)CCSCC1.
What is the InChIKey of (4-benzylsulfanylthian-4-yl)methanamine?
The InChIKey is ARBZGDHMIPMWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS2/c14-11-13(6-8-15-9-7-13)16-10-12-4-2-1-3-5-12/h1-5H,6-11,14H2.
What are the key properties of (4-benzylsulfanylthian-4-yl)methanamine?
(4-benzylsulfanylthian-4-yl)methanamine has a molecular weight of 253.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylsulfanylthian-4-yl)methanamine is sourced from PubChem (CID 59136070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).