Basic information
- CAS
4251-16-5- Standard SMILES
CCCSC#N- InChIKey
VDQRHYCVPYJPHU-UHFFFAOYSA-N- Molecular formula
- C4H7NS
- Average molar mass
- 101.17 g/mol
- Monoisotopic mass
- 101.0299204
Names & identifiers
- Preferred name
- Propyl thiocyanate
- IUPAC
- propyl thiocyanate
- English name
- Propyl thiocyanate
- Molecular formula
- C4H7NS
- Molecular weight
- 101.17
Names & synonyms
Propyl thiocyanateThiocyanic acid, propyl esterPropane, 1-thiocyanato-EINECS 224-214-0DTXSID30962541RefChem:176521DTXCID601020421224-214-0InChI=1/C4H7NS/c1-2-3-6-4-5/h2-3H2,1HVDQRHYCVPYJPHU-UHFFFAOYSA-N4251-16-51-thiocyanatopropane
Show more names
propyl rhodanidepropyl rhodanatePopyl Thiocyanatepropyl thiocyanidepropyl sulfocyanideThiocyanic acid propyl ester
thiocyanato-propaneSCHEMBL1991366SCHEMBL2535296SCHEMBL3023779SCHEMBL6239575MFCD00457378AKOS006273940SY415059
Database identifiers
- CAS
4251-16-5- PubChem CID
- 77925
- DTXSID
DTXSID30962541- EC Number
- 224-214-0
- Nikkaji
- J117.061I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 61.2
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 198 °C · 198 °C(Press: 50 Torr)
- Density
- 0.992 · 0.992±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers15 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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