(4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol

C10H11NOS2 — CID 130816502

IUPAC(4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol
SMILESCSc1sc2cccc(N)c2c1CO
InChIInChI=1S/C10H11NOS2/c1-13-10-6(5-12)9-7(11)3-2-4-8(9)14-10/h2-4,12H,5,11H2,1H3
InChIKeySRSSEZZWRNOSIQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.70
Rot. Bonds2

About (4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol

(4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol (PubChem CID 130816502) has the molecular formula C10H11NOS2 and a molecular weight of 225.34 g/mol. Its IUPAC name is (4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol
PubChem CID130816502
Molecular FormulaC10H11NOS2
Molecular Weight225.34 g/mol
Exact Mass225.03
IUPAC Name(4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol
SMILESCSc1sc2cccc(N)c2c1CO
InChIInChI=1S/C10H11NOS2/c1-13-10-6(5-12)9-7(11)3-2-4-8(9)14-10/h2-4,12H,5,11H2,1H3
InChIKeySRSSEZZWRNOSIQ-UHFFFAOYSA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-2-sulfanyl-1-benzothiophen-3-yl)methanol
CID 130820936
3-methylsulfanyl-1-benzothiophene-2,4-diamine
CID 131145947
3-amino-2-methylsulfanyl-1-benzothiophene-4-carbonitrile
CID 130898218
(4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol
CID 130855351
3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene
CID 130971332
3-[(Z)-4-aminobut-2-enyl]-2-methyl-1-benzothiophen-4-amine
CID 175621691
3-bromo-4-(bromomethyl)-2-methylsulfanyl-1-benzothiophene
CID 131146096
(4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 131196586
2-iodo-3-methyl-1-benzothiophen-4-amine
CID 130788970
4-amino-2-sulfanyl-1-benzothiophen-3-ol
CID 130955599
[2-bromo-4-(chloromethyl)-1-benzothiophen-3-yl]methanol
CID 131033753
(2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol
CID 131217352

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol?
The IUPAC name of (4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol (CID 130816502) is (4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol is CSc1sc2cccc(N)c2c1CO.
What is the InChIKey of (4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol?
The InChIKey is SRSSEZZWRNOSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS2/c1-13-10-6(5-12)9-7(11)3-2-4-8(9)14-10/h2-4,12H,5,11H2,1H3.
What are the key properties of (4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol?
(4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol has a molecular weight of 225.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 130816502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).