holmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine

C9H13HoN2S- — CID 162375794

IUPACholmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine
SMILESC[C-]1CCCc2sc(N)c(N)c21.[Ho]
InChIInChI=1S/C9H13N2S.Ho/c1-5-3-2-4-6-7(5)8(10)9(11)12-6;/h2-4,10-11H2,1H3;/q-1;
InChIKeyNKLAXQGXNSFAMD-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.19
Rot. Bonds

About holmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine

holmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine (PubChem CID 162375794) has the molecular formula C9H13HoN2S- and a molecular weight of 346.21 g/mol. Its IUPAC name is holmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine.

Molecular Properties

Compound Nameholmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine
PubChem CID162375794
Molecular FormulaC9H13HoN2S-
Molecular Weight346.21 g/mol
Exact Mass346.01
IUPAC Nameholmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine
SMILESC[C-]1CCCc2sc(N)c(N)c21.[Ho]
InChIInChI=1S/C9H13N2S.Ho/c1-5-3-2-4-6-7(5)8(10)9(11)12-6;/h2-4,10-11H2,1H3;/q-1;
InChIKeyNKLAXQGXNSFAMD-UHFFFAOYSA-N
XLogP2.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 12342316
(4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 42579961
Benzo[b]thiophen-2-amine, 4,5,6,7-tetrahydro-3-methyl-
CID 54397061
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbothioamide
CID 12291606
4,5,6,7-Tetrahydro-1-benzothiophene-2,3-diamine
CID 21176148
(S)-2-Amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
CID 42579962
3-Isocyano-2-methyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 58011205
3,6-Dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 58774528
3-Methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-id-2-amine;rubidium(1+)
CID 58862036
2-Amino-4-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 64251747
3-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 66920154
(7E)-7-ethylidene-3-methyl-5,6-dihydro-4H-1-benzothiophen-2-amine
CID 68334405

Frequently Asked Questions

What is the IUPAC name of holmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine?
The IUPAC name of holmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine (CID 162375794) is holmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine.
What is the SMILES notation for holmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine?
The canonical SMILES for holmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine is C[C-]1CCCc2sc(N)c(N)c21.[Ho].
What is the InChIKey of holmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine?
The InChIKey is NKLAXQGXNSFAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2S.Ho/c1-5-3-2-4-6-7(5)8(10)9(11)12-6;/h2-4,10-11H2,1H3;/q-1;.
What are the key properties of holmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine?
holmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine has a molecular weight of 346.21 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for holmium;4-methyl-6,7-dihydro-5H-1-benzothiophen-4-ide-2,3-diamine is sourced from PubChem (CID 162375794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).