dithiophen-2-ylmethanamine;hydroiodide

C9H10INS2 — CID 175262247

IUPACdithiophen-2-ylmethanamine;hydroiodide
SMILESI.NC(c1cccs1)c1cccs1
InChIInChI=1S/C9H9NS2.HI/c10-9(7-3-1-5-11-7)8-4-2-6-12-8;/h1-6,9H,10H2;1H
InChIKeyBDDKLECVNIJYRJ-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.48
Rot. Bonds2

About dithiophen-2-ylmethanamine;hydroiodide

dithiophen-2-ylmethanamine;hydroiodide (PubChem CID 175262247) has the molecular formula C9H10INS2 and a molecular weight of 323.22 g/mol. Its IUPAC name is dithiophen-2-ylmethanamine;hydroiodide.

Molecular Properties

Compound Namedithiophen-2-ylmethanamine;hydroiodide
PubChem CID175262247
Molecular FormulaC9H10INS2
Molecular Weight323.22 g/mol
Exact Mass322.93
IUPAC Namedithiophen-2-ylmethanamine;hydroiodide
SMILESI.NC(c1cccs1)c1cccs1
InChIInChI=1S/C9H9NS2.HI/c10-9(7-3-1-5-11-7)8-4-2-6-12-8;/h1-6,9H,10H2;1H
InChIKeyBDDKLECVNIJYRJ-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
(2-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186746
(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171197939
(3,5-dibromophenyl)-thiophen-2-ylmethanamine
CID 107973859
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028
(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171202537
(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740
(R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride
CID 171232400
(R)-(2,3-difluorophenyl)-thiophen-2-ylmethanamine
CID 94532686
3-[(S)-amino(thiophen-2-yl)methyl]phenol
CID 130870806
(S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine
CID 130873902

Frequently Asked Questions

What is the IUPAC name of dithiophen-2-ylmethanamine;hydroiodide?
The IUPAC name of dithiophen-2-ylmethanamine;hydroiodide (CID 175262247) is dithiophen-2-ylmethanamine;hydroiodide.
What is the SMILES notation for dithiophen-2-ylmethanamine;hydroiodide?
The canonical SMILES for dithiophen-2-ylmethanamine;hydroiodide is I.NC(c1cccs1)c1cccs1.
What is the InChIKey of dithiophen-2-ylmethanamine;hydroiodide?
The InChIKey is BDDKLECVNIJYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS2.HI/c10-9(7-3-1-5-11-7)8-4-2-6-12-8;/h1-6,9H,10H2;1H.
What are the key properties of dithiophen-2-ylmethanamine;hydroiodide?
dithiophen-2-ylmethanamine;hydroiodide has a molecular weight of 323.22 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dithiophen-2-ylmethanamine;hydroiodide is sourced from PubChem (CID 175262247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).