[4-(methylamino)thian-4-yl]methanol;hydrochloride

C7H16ClNOS — CID 54592770

IUPAC[4-(methylamino)thian-4-yl]methanol;hydrochloride
SMILESCNC1(CO)CCSCC1.Cl
InChIInChI=1S/C7H15NOS.ClH/c1-8-7(6-9)2-4-10-5-3-7;/h8-9H,2-6H2,1H3;1H
InChIKeyVHQCPCYDDWYGBB-UHFFFAOYSA-N
MW197.73 g/mol
LogP0.89
Rot. Bonds2

About [4-(methylamino)thian-4-yl]methanol;hydrochloride

[4-(methylamino)thian-4-yl]methanol;hydrochloride (PubChem CID 54592770) has the molecular formula C7H16ClNOS and a molecular weight of 197.73 g/mol. Its IUPAC name is [4-(methylamino)thian-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(methylamino)thian-4-yl]methanol;hydrochloride
PubChem CID54592770
Molecular FormulaC7H16ClNOS
Molecular Weight197.73 g/mol
Exact Mass197.06
IUPAC Name[4-(methylamino)thian-4-yl]methanol;hydrochloride
SMILESCNC1(CO)CCSCC1.Cl
InChIInChI=1S/C7H15NOS.ClH/c1-8-7(6-9)2-4-10-5-3-7;/h8-9H,2-6H2,1H3;1H
InChIKeyVHQCPCYDDWYGBB-UHFFFAOYSA-N
XLogP0.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.73
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)thian-4-yl]methanol;hydrochloride?
The IUPAC name of [4-(methylamino)thian-4-yl]methanol;hydrochloride (CID 54592770) is [4-(methylamino)thian-4-yl]methanol;hydrochloride.
What is the SMILES notation for [4-(methylamino)thian-4-yl]methanol;hydrochloride?
The canonical SMILES for [4-(methylamino)thian-4-yl]methanol;hydrochloride is CNC1(CO)CCSCC1.Cl.
What is the InChIKey of [4-(methylamino)thian-4-yl]methanol;hydrochloride?
The InChIKey is VHQCPCYDDWYGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS.ClH/c1-8-7(6-9)2-4-10-5-3-7;/h8-9H,2-6H2,1H3;1H.
What are the key properties of [4-(methylamino)thian-4-yl]methanol;hydrochloride?
[4-(methylamino)thian-4-yl]methanol;hydrochloride has a molecular weight of 197.73 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)thian-4-yl]methanol;hydrochloride is sourced from PubChem (CID 54592770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).