azane;[bis(2-hydroxyethyl)amino] carbamodithioate

C5H15N3O2S2 — CID 174562447

IUPACazane;[bis(2-hydroxyethyl)amino] carbamodithioate
SMILESN.NC(=S)SN(CCO)CCO
InChIInChI=1S/C5H12N2O2S2.H3N/c6-5(10)11-7(1-3-8)2-4-9;/h8-9H,1-4H2,(H2,6,10);1H3
InChIKeyVKNYRFLSMOBEIA-UHFFFAOYSA-N
MW213.33 g/mol
LogP-0.67
Rot. Bonds5

About azane;[bis(2-hydroxyethyl)amino] carbamodithioate

azane;[bis(2-hydroxyethyl)amino] carbamodithioate (PubChem CID 174562447) has the molecular formula C5H15N3O2S2 and a molecular weight of 213.33 g/mol. Its IUPAC name is azane;[bis(2-hydroxyethyl)amino] carbamodithioate.

Molecular Properties

Compound Nameazane;[bis(2-hydroxyethyl)amino] carbamodithioate
PubChem CID174562447
Molecular FormulaC5H15N3O2S2
Molecular Weight213.33 g/mol
Exact Mass213.06
IUPAC Nameazane;[bis(2-hydroxyethyl)amino] carbamodithioate
SMILESN.NC(=S)SN(CCO)CCO
InChIInChI=1S/C5H12N2O2S2.H3N/c6-5(10)11-7(1-3-8)2-4-9;/h8-9H,1-4H2,(H2,6,10);1H3
InChIKeyVKNYRFLSMOBEIA-UHFFFAOYSA-N
XLogP-0.67
TPSA104.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(didodecylamino) carbamodithioate
CID 88625724
2-[bis(2-hydroxyethyl)amino]ethanethioamide
CID 61235976
[bis(2-hydroxyethyl)amino] thiohypoiodite
CID 155721277
copper;2-hydroxyethyl carbamodithioate
CID 160591055
3-[2-hydroxyethyl(methyl)amino]pentanethioamide
CID 60960763
N,N-bis(2-hydroxyethyl)carbamodithioate
CID 4524302
2-[2-hydroxyethyl(propyl)amino]ethanethioamide
CID 61424622
3-[2-hydroxyethyl(methyl)amino]butanethioamide
CID 60961415
1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 80590055
1-carbamothioyl-N,N-bis(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 55037634
1-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 107479789
1-amino-1-(2-hydroxyethyl)guanidine
CID 15114687

Frequently Asked Questions

What is the IUPAC name of azane;[bis(2-hydroxyethyl)amino] carbamodithioate?
The IUPAC name of azane;[bis(2-hydroxyethyl)amino] carbamodithioate (CID 174562447) is azane;[bis(2-hydroxyethyl)amino] carbamodithioate.
What is the SMILES notation for azane;[bis(2-hydroxyethyl)amino] carbamodithioate?
The canonical SMILES for azane;[bis(2-hydroxyethyl)amino] carbamodithioate is N.NC(=S)SN(CCO)CCO.
What is the InChIKey of azane;[bis(2-hydroxyethyl)amino] carbamodithioate?
The InChIKey is VKNYRFLSMOBEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S2.H3N/c6-5(10)11-7(1-3-8)2-4-9;/h8-9H,1-4H2,(H2,6,10);1H3.
What are the key properties of azane;[bis(2-hydroxyethyl)amino] carbamodithioate?
azane;[bis(2-hydroxyethyl)amino] carbamodithioate has a molecular weight of 213.33 g/mol, XLogP of -0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[bis(2-hydroxyethyl)amino] carbamodithioate is sourced from PubChem (CID 174562447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).