1-amino-3-(propan-2-ylamino)thiourea

C4H12N4S — CID 15647642

IUPAC1-amino-3-(propan-2-ylamino)thiourea
SMILESCC(C)NNC(=S)NN
InChIInChI=1S/C4H12N4S/c1-3(2)7-8-4(9)6-5/h3,7H,5H2,1-2H3,(H2,6,8,9)
InChIKeyUSDYNCQJKDROPP-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.76
Rot. Bonds2

About 1-amino-3-(propan-2-ylamino)thiourea

1-amino-3-(propan-2-ylamino)thiourea (PubChem CID 15647642) has the molecular formula C4H12N4S and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-amino-3-(propan-2-ylamino)thiourea.

Molecular Properties

Compound Name1-amino-3-(propan-2-ylamino)thiourea
PubChem CID15647642
Molecular FormulaC4H12N4S
Molecular Weight148.23 g/mol
Exact Mass148.08
IUPAC Name1-amino-3-(propan-2-ylamino)thiourea
SMILESCC(C)NNC(=S)NN
InChIInChI=1S/C4H12N4S/c1-3(2)7-8-4(9)6-5/h3,7H,5H2,1-2H3,(H2,6,8,9)
InChIKeyUSDYNCQJKDROPP-UHFFFAOYSA-N
XLogP-0.76
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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
Butylthiosemicarbazide
CID 23054747
N-isopropylthiosemicarbazone
CID 55288596
N-cyclopropylthiosemicarbazone
CID 86616261
4-Cyclobutylaminothiosemicarbazide
CID 129869787
4-Cyclopropylaminothiosemicarbazide
CID 129869846
1-[(Propan-2-yl)amino]-1,2-dihydro-5H-tetrazole-5-thione
CID 13373735
N-(propan-2-ylamino)methanethioamide
CID 20506656
1-Methyl-3-(propan-2-ylamino)thiourea
CID 55286062
(Butan-2-ylamino)thiourea
CID 55290297
(2-Methylpropylamino)thiourea
CID 55290300

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(propan-2-ylamino)thiourea?
The IUPAC name of 1-amino-3-(propan-2-ylamino)thiourea (CID 15647642) is 1-amino-3-(propan-2-ylamino)thiourea.
What is the SMILES notation for 1-amino-3-(propan-2-ylamino)thiourea?
The canonical SMILES for 1-amino-3-(propan-2-ylamino)thiourea is CC(C)NNC(=S)NN.
What is the InChIKey of 1-amino-3-(propan-2-ylamino)thiourea?
The InChIKey is USDYNCQJKDROPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4S/c1-3(2)7-8-4(9)6-5/h3,7H,5H2,1-2H3,(H2,6,8,9).
What are the key properties of 1-amino-3-(propan-2-ylamino)thiourea?
1-amino-3-(propan-2-ylamino)thiourea has a molecular weight of 148.23 g/mol, XLogP of -0.76, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(propan-2-ylamino)thiourea is sourced from PubChem (CID 15647642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).