[1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea

C5H14N6S2 — CID 140564773

IUPAC[1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea
SMILESCC(CNNC(N)=S)NNC(N)=S
InChIInChI=1S/C5H14N6S2/c1-3(9-11-5(7)13)2-8-10-4(6)12/h3,8-9H,2H2,1H3,(H3,6,10,12)(H3,7,11,13)
InChIKeyBURFTINCWCULIV-UHFFFAOYSA-N
MW222.34 g/mol
LogP-1.95
Rot. Bonds5

About [1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea

[1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea (PubChem CID 140564773) has the molecular formula C5H14N6S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is [1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea.

Molecular Properties

Compound Name[1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea
PubChem CID140564773
Molecular FormulaC5H14N6S2
Molecular Weight222.34 g/mol
Exact Mass222.07
IUPAC Name[1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea
SMILESCC(CNNC(N)=S)NNC(N)=S
InChIInChI=1S/C5H14N6S2/c1-3(9-11-5(7)13)2-8-10-4(6)12/h3,8-9H,2H2,1H3,(H3,6,10,12)(H3,7,11,13)
InChIKeyBURFTINCWCULIV-UHFFFAOYSA-N
XLogP-1.95
TPSA100.16 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.34
LogP ≤ 5-1.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
N-isopropylthiosemicarbazone
CID 55288596
Ethane-1,2-dithiosemicarbazide
CID 138478536
1-Isopropylthiocarbohydrazide
CID 15647642
4-Cyclobutylaminothiosemicarbazide
CID 129869787
4-Cyclopropylaminothiosemicarbazide
CID 129869846
(Butan-2-ylamino)thiourea
CID 55290297
(1-Cyanoethylamino)thiourea
CID 88799942
[3-(2-Carbamothioylhydrazinyl)propylamino]thiourea
CID 140564772
1-Amino-3-(propylamino)thiourea
CID 154127857
1,3-Bis(ethylamino)thiourea
CID 174665728
3-Amino-1,1-bis(ethylamino)thiourea
CID 174665730

Frequently Asked Questions

What is the IUPAC name of [1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea?
The IUPAC name of [1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea (CID 140564773) is [1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea.
What is the SMILES notation for [1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea?
The canonical SMILES for [1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea is CC(CNNC(N)=S)NNC(N)=S.
What is the InChIKey of [1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea?
The InChIKey is BURFTINCWCULIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6S2/c1-3(9-11-5(7)13)2-8-10-4(6)12/h3,8-9H,2H2,1H3,(H3,6,10,12)(H3,7,11,13).
What are the key properties of [1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea?
[1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea has a molecular weight of 222.34 g/mol, XLogP of -1.95, 5 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-carbamothioylhydrazinyl)propan-2-ylamino]thiourea is sourced from PubChem (CID 140564773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).