Basic information
- CAS
72269-92-2- Standard SMILES
CC(C)N(c1nnc(N)s1)C(C)C- InChIKey
NMKUIHQPXZUGIB-UHFFFAOYSA-N- Molecular formula
- C8H16N4S
- Average molar mass
- 200.31 g/mol
- Monoisotopic mass
- 200.1095677
Names & identifiers
- Preferred name
- 2-Amino-5-diisopropylamino-1,3,4-thiadiazole
- IUPAC
- 2-N,2-N-di(propan-2-yl)-1,3,4-thiadiazole-2,5-diamine
- English name
- 2-Amino-5-(diisopropylamino)-1,3,4-thiadiazole
- Molecular formula
- C8H16N4S
- Molecular weight
- 200.3
Names & synonyms
72269-92-22-amino-5-diisopropylamino-1,3,4-thiadiazoleN2,N2-DIISOPROPYL-1,3,4-THIADIAZOLE-2,5-DIAMINE5-AMINO-2-DIISOPROPYLAMINO-1,3,4-THIADIAZOLE2-N,2-N-di(propan-2-yl)-1,3,4-thiadiazole-2,5-diamineMFCD00036052N,N-Diisopropyl-1,3,4-thiadiazole-2,5-diamineBAS 013693471,3,4-Thiadiazole-2,5-diamine,N2,N2-bis(1-methylethyl)-TimTec1_007296MLS000121958N,N-Diisopropyl-[1,3,4]thiadiazole-2,5-diamine
Show more names
1,3,4-Thiadiazole-2,5-diamine, N2,N2-bis(1-methylethyl)-
SCHEMBL5945241CHEMBL1418512DTXSID70354168N2,N2-bis(propan-2-yl)-1,3,4-thiadiazole-2,5-diamineHMS1554L14HMS2382L06AKOS000507825AS-9337
Database identifiers
- CAS
72269-92-2- PubChem CID
- 765378
- DTXSID
DTXSID70354168- ChEMBL
CHEMBL1418512- EC Number
- 615-745-2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
LogP1.49
Physicochemical properties
- Boiling point
- 308.9 · 308.9±25.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- pka
- 6.85 · 6.85±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P304+P340-P362+P364
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P304+P340-P362+P364
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
1 records
Compound notes
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