[2-(2-carbamothioylhydrazinyl)ethylamino]thiourea

C4H12N6S2 — CID 138478536

IUPAC[2-(2-carbamothioylhydrazinyl)ethylamino]thiourea
SMILESNC(=S)NNCCNNC(N)=S
InChIInChI=1S/C4H12N6S2/c5-3(11)9-7-1-2-8-10-4(6)12/h7-8H,1-2H2,(H3,5,9,11)(H3,6,10,12)
InChIKeyQSXNWKXTYMANAV-UHFFFAOYSA-N
MW208.32 g/mol
LogP-2.34
Rot. Bonds5

About [2-(2-carbamothioylhydrazinyl)ethylamino]thiourea

[2-(2-carbamothioylhydrazinyl)ethylamino]thiourea (PubChem CID 138478536) has the molecular formula C4H12N6S2 and a molecular weight of 208.32 g/mol. Its IUPAC name is [2-(2-carbamothioylhydrazinyl)ethylamino]thiourea.

Molecular Properties

Compound Name[2-(2-carbamothioylhydrazinyl)ethylamino]thiourea
PubChem CID138478536
Molecular FormulaC4H12N6S2
Molecular Weight208.32 g/mol
Exact Mass208.06
IUPAC Name[2-(2-carbamothioylhydrazinyl)ethylamino]thiourea
SMILESNC(=S)NNCCNNC(N)=S
InChIInChI=1S/C4H12N6S2/c5-3(11)9-7-1-2-8-10-4(6)12/h7-8H,1-2H2,(H3,5,9,11)(H3,6,10,12)
InChIKeyQSXNWKXTYMANAV-UHFFFAOYSA-N
XLogP-2.34
TPSA100.16 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.32
LogP ≤ 5-2.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Hydrazinecarbothioamide, 2-propyl-
CID 3374478
2-Ethylhydrazinecarbothioamide
CID 22105028
(2-Aminoethylamino)thiourea
CID 88830737
[3-(2-Carbamothioylhydrazinyl)propylamino]thiourea
CID 140564772
[1-(2-Carbamothioylhydrazinyl)propan-2-ylamino]thiourea
CID 140564773
1-Amino-3-(propylamino)thiourea
CID 154127857
1-Amino-3-(ethylamino)thiourea
CID 154152356
1-[Ethyl(methylamino)amino]-3-(methylamino)thiourea
CID 154429208
Sodium;(2-aminoethylamino)thiourea;hydride
CID 173458055
1,3-Bis(ethylamino)thiourea
CID 174665728
3-Amino-1,1-bis(ethylamino)thiourea
CID 174665730
1,1-Bis(ethylamino)thiourea
CID 174677956

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamothioylhydrazinyl)ethylamino]thiourea?
The IUPAC name of [2-(2-carbamothioylhydrazinyl)ethylamino]thiourea (CID 138478536) is [2-(2-carbamothioylhydrazinyl)ethylamino]thiourea.
What is the SMILES notation for [2-(2-carbamothioylhydrazinyl)ethylamino]thiourea?
The canonical SMILES for [2-(2-carbamothioylhydrazinyl)ethylamino]thiourea is NC(=S)NNCCNNC(N)=S.
What is the InChIKey of [2-(2-carbamothioylhydrazinyl)ethylamino]thiourea?
The InChIKey is QSXNWKXTYMANAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N6S2/c5-3(11)9-7-1-2-8-10-4(6)12/h7-8H,1-2H2,(H3,5,9,11)(H3,6,10,12).
What are the key properties of [2-(2-carbamothioylhydrazinyl)ethylamino]thiourea?
[2-(2-carbamothioylhydrazinyl)ethylamino]thiourea has a molecular weight of 208.32 g/mol, XLogP of -2.34, 5 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamothioylhydrazinyl)ethylamino]thiourea is sourced from PubChem (CID 138478536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).