CID 143798438

C9H25NS2 — CID 143798438

IUPAC—
SMILESCCCCC.CCNCC.SS
InChIInChI=1S/C5H12.C4H11N.H2S2/c2*1-3-5-4-2;1-2/h3-5H2,1-2H3;5H,3-4H2,1-2H3;1-2H
InChIKeyBKPNBNAIXVPVAZ-UHFFFAOYSA-N
MW211.44 g/mol
LogP3.57
Rot. Bonds4

About CID 143798438

CID 143798438 (PubChem CID 143798438) has the molecular formula C9H25NS2 and a molecular weight of 211.44 g/mol.

Molecular Properties

Compound NameCID 143798438
PubChem CID143798438
Molecular FormulaC9H25NS2
Molecular Weight211.44 g/mol
Exact Mass211.14
IUPAC Name—
SMILESCCCCC.CCNCC.SS
InChIInChI=1S/C5H12.C4H11N.H2S2/c2*1-3-5-4-2;1-2/h3-5H2,1-2H3;5H,3-4H2,1-2H3;1-2H
InChIKeyBKPNBNAIXVPVAZ-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.44
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;N-ethylethanamine;heptane
CID 144585900
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
N-ethylethanamine;platinum
CID 88506582
N-ethylethanamine;λ2-plumbane
CID 174566138
N-ethylethanamine;yttrium
CID 174702634
cerium;N-ethylethanamine
CID 174691303
N-ethylethanamine;titanium(4+)
CID 21151065
N-ethylethanamine;tetradecan-1-amine
CID 174652830
N-ethylethanamine;hexan-1-amine
CID 18330686
N-ethylethanamine;hexane;methanol;propan-2-ol
CID 86585335
N-ethylethanamine;methane;phosphane
CID 174671169
tetrakis(N-ethylethanamine);phosphane;hydrobromide
CID 175008445

Frequently Asked Questions

What is the IUPAC name of CID 143798438?
The IUPAC name of CID 143798438 (CID 143798438) is not available.
What is the SMILES notation for CID 143798438?
The canonical SMILES for CID 143798438 is CCCCC.CCNCC.SS.
What is the InChIKey of CID 143798438?
The InChIKey is BKPNBNAIXVPVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H11N.H2S2/c2*1-3-5-4-2;1-2/h3-5H2,1-2H3;5H,3-4H2,1-2H3;1-2H.
What are the key properties of CID 143798438?
CID 143798438 has a molecular weight of 211.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143798438 is sourced from PubChem (CID 143798438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).