(3-fluorothian-4-yl)methanamine

C6H12FNS — CID 84649340

IUPAC(3-fluorothian-4-yl)methanamine
SMILESNCC1CCSCC1F
InChIInChI=1S/C6H12FNS/c7-6-4-9-2-1-5(6)3-8/h5-6H,1-4,8H2
InChIKeyBTYFPDNXPJJZQA-UHFFFAOYSA-N
MW149.23 g/mol
LogP1.04
Rot. Bonds1

About (3-fluorothian-4-yl)methanamine

(3-fluorothian-4-yl)methanamine (PubChem CID 84649340) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is (3-fluorothian-4-yl)methanamine.

Molecular Properties

Compound Name(3-fluorothian-4-yl)methanamine
PubChem CID84649340
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name(3-fluorothian-4-yl)methanamine
SMILESNCC1CCSCC1F
InChIInChI=1S/C6H12FNS/c7-6-4-9-2-1-5(6)3-8/h5-6H,1-4,8H2
InChIKeyBTYFPDNXPJJZQA-UHFFFAOYSA-N
XLogP1.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorothian-4-yl)methanamine?
The IUPAC name of (3-fluorothian-4-yl)methanamine (CID 84649340) is (3-fluorothian-4-yl)methanamine.
What is the SMILES notation for (3-fluorothian-4-yl)methanamine?
The canonical SMILES for (3-fluorothian-4-yl)methanamine is NCC1CCSCC1F.
What is the InChIKey of (3-fluorothian-4-yl)methanamine?
The InChIKey is BTYFPDNXPJJZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNS/c7-6-4-9-2-1-5(6)3-8/h5-6H,1-4,8H2.
What are the key properties of (3-fluorothian-4-yl)methanamine?
(3-fluorothian-4-yl)methanamine has a molecular weight of 149.23 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorothian-4-yl)methanamine is sourced from PubChem (CID 84649340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).