[2-(thian-3-ylamino)phenyl]methanol

C12H17NOS — CID 62873092

IUPAC[2-(thian-3-ylamino)phenyl]methanol
SMILESOCc1ccccc1NC1CCCSC1
InChIInChI=1S/C12H17NOS/c14-8-10-4-1-2-6-12(10)13-11-5-3-7-15-9-11/h1-2,4,6,11,13-14H,3,5,7-9H2
InChIKeyHHCVBEWFJZBVML-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.49
Rot. Bonds3

About [2-(thian-3-ylamino)phenyl]methanol

[2-(thian-3-ylamino)phenyl]methanol (PubChem CID 62873092) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is [2-(thian-3-ylamino)phenyl]methanol.

Molecular Properties

Compound Name[2-(thian-3-ylamino)phenyl]methanol
PubChem CID62873092
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name[2-(thian-3-ylamino)phenyl]methanol
SMILESOCc1ccccc1NC1CCCSC1
InChIInChI=1S/C12H17NOS/c14-8-10-4-1-2-6-12(10)13-11-5-3-7-15-9-11/h1-2,4,6,11,13-14H,3,5,7-9H2
InChIKeyHHCVBEWFJZBVML-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(thian-3-ylamino)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-propylphenyl)thian-3-amine
CID 62871075
(3S)-N-(2-chlorophenyl)thian-3-amine
CID 94885671
2-[(thian-3-ylamino)methyl]phenol
CID 115676061
N-[2-(trifluoromethylsulfanyl)phenyl]thian-3-amine
CID 62871791
N-(thian-3-yl)quinolin-5-amine
CID 62873049
N-(2-propan-2-yloxyphenyl)thian-3-amine
CID 62871809
N-(3-fluoro-2-methylphenyl)thian-3-amine
CID 62871831
N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine
CID 62872683
N-[2-(1,2,4-triazol-1-yl)phenyl]thian-3-amine
CID 62872900
(3S)-N-(2-iodophenyl)thiolan-3-amine
CID 93023740
4-(thian-3-ylamino)phenol
CID 62873090
N-(2-ethoxyphenyl)thiolan-3-amine
CID 43191691

Frequently Asked Questions

What is the IUPAC name of [2-(thian-3-ylamino)phenyl]methanol?
The IUPAC name of [2-(thian-3-ylamino)phenyl]methanol (CID 62873092) is [2-(thian-3-ylamino)phenyl]methanol.
What is the SMILES notation for [2-(thian-3-ylamino)phenyl]methanol?
The canonical SMILES for [2-(thian-3-ylamino)phenyl]methanol is OCc1ccccc1NC1CCCSC1.
What is the InChIKey of [2-(thian-3-ylamino)phenyl]methanol?
The InChIKey is HHCVBEWFJZBVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-8-10-4-1-2-6-12(10)13-11-5-3-7-15-9-11/h1-2,4,6,11,13-14H,3,5,7-9H2.
What are the key properties of [2-(thian-3-ylamino)phenyl]methanol?
[2-(thian-3-ylamino)phenyl]methanol has a molecular weight of 223.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thian-3-ylamino)phenyl]methanol is sourced from PubChem (CID 62873092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).