(propan-2-ylamino)thiourea

C4H11N3S — CID 55288596

IUPAC(propan-2-ylamino)thiourea
SMILESCC(C)NNC(N)=S
InChIInChI=1S/C4H11N3S/c1-3(2)6-7-4(5)8/h3,6H,1-2H3,(H3,5,7,8)
InChIKeyHFDCWTJWSLGUPM-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.27
Rot. Bonds2

About (propan-2-ylamino)thiourea

(propan-2-ylamino)thiourea (PubChem CID 55288596) has the molecular formula C4H11N3S and a molecular weight of 133.22 g/mol. Its IUPAC name is (propan-2-ylamino)thiourea.

Molecular Properties

Compound Name(propan-2-ylamino)thiourea
PubChem CID55288596
Molecular FormulaC4H11N3S
Molecular Weight133.22 g/mol
Exact Mass133.07
IUPAC Name(propan-2-ylamino)thiourea
SMILESCC(C)NNC(N)=S
InChIInChI=1S/C4H11N3S/c1-3(2)6-7-4(5)8/h3,6H,1-2H3,(H3,5,7,8)
InChIKeyHFDCWTJWSLGUPM-UHFFFAOYSA-N
XLogP-0.27
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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
2-Ethylhydrazinecarbothioamide
CID 22105028
Butylthiosemicarbazide
CID 23054747
N-cyclopropylthiosemicarbazone
CID 86616261
1-Isopropylthiocarbohydrazide
CID 15647642
4-Cyclobutylaminothiosemicarbazide
CID 129869787
4-Cyclopropylaminothiosemicarbazide
CID 129869846
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
1-Ethyl-3-(propan-2-ylamino)thiourea
CID 57863374

Frequently Asked Questions

What is the IUPAC name of (propan-2-ylamino)thiourea?
The IUPAC name of (propan-2-ylamino)thiourea (CID 55288596) is (propan-2-ylamino)thiourea.
What is the SMILES notation for (propan-2-ylamino)thiourea?
The canonical SMILES for (propan-2-ylamino)thiourea is CC(C)NNC(N)=S.
What is the InChIKey of (propan-2-ylamino)thiourea?
The InChIKey is HFDCWTJWSLGUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S/c1-3(2)6-7-4(5)8/h3,6H,1-2H3,(H3,5,7,8).
What are the key properties of (propan-2-ylamino)thiourea?
(propan-2-ylamino)thiourea has a molecular weight of 133.22 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylamino)thiourea is sourced from PubChem (CID 55288596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).