(4-methylthian-4-yl)methanamine

C7H15NS — CID 83815259

IUPAC(4-methylthian-4-yl)methanamine
SMILESCC1(CN)CCSCC1
InChIInChI=1S/C7H15NS/c1-7(6-8)2-4-9-5-3-7/h2-6,8H2,1H3
InChIKeyFGZMGDHKFMIWJC-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.48
Rot. Bonds1

About (4-methylthian-4-yl)methanamine

(4-methylthian-4-yl)methanamine (PubChem CID 83815259) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (4-methylthian-4-yl)methanamine.

Molecular Properties

Compound Name(4-methylthian-4-yl)methanamine
PubChem CID83815259
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(4-methylthian-4-yl)methanamine
SMILESCC1(CN)CCSCC1
InChIInChI=1S/C7H15NS/c1-7(6-8)2-4-9-5-3-7/h2-6,8H2,1H3
InChIKeyFGZMGDHKFMIWJC-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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Related Compounds

Thian-4-ylmethanamine
CID 21522763
(4-Fluorothian-4-yl)methanamine
CID 84020815
[4-(Fluoromethyl)thian-4-yl]methanamine
CID 84764721
2-[4-(1-Fluoroethyl)thian-4-yl]ethanamine
CID 115018805
2,2-Difluoro-2-(4-methylthian-4-yl)ethanamine
CID 115020353
[4-(Aminomethyl)thian-4-yl]methanamine
CID 21709345
5,5-Dimethylthian-3-amine
CID 59657887
4,4-Dimethylthian-3-amine
CID 59657967
(3-Ethylthiolan-3-yl)methanamine
CID 69674504
(4-Ethylthian-4-yl)methanamine
CID 83815682
2-(4-Methylthian-4-yl)ethanamine
CID 83815685
2,2-Diethyl-4-ethylsulfanylbutan-1-amine
CID 116101914

Frequently Asked Questions

What is the IUPAC name of (4-methylthian-4-yl)methanamine?
The IUPAC name of (4-methylthian-4-yl)methanamine (CID 83815259) is (4-methylthian-4-yl)methanamine.
What is the SMILES notation for (4-methylthian-4-yl)methanamine?
The canonical SMILES for (4-methylthian-4-yl)methanamine is CC1(CN)CCSCC1.
What is the InChIKey of (4-methylthian-4-yl)methanamine?
The InChIKey is FGZMGDHKFMIWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(6-8)2-4-9-5-3-7/h2-6,8H2,1H3.
What are the key properties of (4-methylthian-4-yl)methanamine?
(4-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 (4-methylthian-4-yl)methanamine is sourced from PubChem (CID 83815259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).